data_2exg_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 2exg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 CA--C 1.538 0.509 0 CA-C-O 122.364 1.078 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.45 135.83 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.604 157.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mt -132.44 146.44 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -134.47 143.3 47.42 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.812 -1.18 . . . . 0.0 110.96 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.02 95.36 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 122.07 0.938 . . . . 0.0 109.399 -161.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -75.95 154.15 36.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.335 1.454 . . . . 0.0 112.869 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.13 49.52 1.11 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.998 1.319 . . . . 0.0 112.014 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -36.36 -36.8 0.11 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 128.326 2.65 . . . . 0.0 116.714 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 14.4 ttmt -132.78 23.71 4.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.324 1.85 . . . . 0.0 112.564 -175.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 52.24 -13.04 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 129.934 3.294 . . . . 0.0 119.833 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.05 46.35 0.1 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.83 2.452 . . . . 0.0 114.565 -174.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 179.92 2.64 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.756 -1.215 . . . . 0.0 112.665 -164.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 mtp -71.43 -49.47 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.62 -1.517 . . . . 0.0 111.703 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 61.01 5.23 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.472 0.558 . . . . 0.0 112.281 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.07 172.2 12.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.71 1.204 . . . . 0.0 110.082 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -140.86 124.17 16.66 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 120.006 -1.683 . . . . 0.0 109.315 -176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.32 152.49 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.986 1.314 . . . . 0.0 110.18 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.1 t -136.39 127.56 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.336 1.454 . . . . 0.0 107.928 173.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.96 164.02 13.08 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 122.177 0.989 . . . . 0.0 111.066 165.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 C-N-CA 124.492 1.117 . . . . 0.0 109.504 164.341 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.253 0 N-CA-C 114.343 0.497 . . . . 0.0 114.343 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mt -147.48 149.14 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.145 1.378 . . . . 0.0 108.906 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -145.88 137.09 24.75 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.567 1.147 . . . . 0.0 111.27 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.07 99.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.373 1.069 . . . . 0.0 108.364 162.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.3 -38.85 92.51 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.72 -0.613 . . . . 0.0 111.382 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.3 p -172.25 173.51 4.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.106 0.963 . . . . 0.0 112.769 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.8 m -74.72 166.86 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.379 148.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.18 13.15 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 120.162 1.346 . . . . 0.0 112.717 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 58.24 35.52 25.01 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.022 -1.049 . . . . 0.0 111.727 168.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.68 36.05 0.04 OUTLIER Glycine 0 CA--C 1.54 1.646 0 N-CA-C 116.671 1.428 . . . . 0.0 116.671 -172.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -147.89 167.83 28.79 Favored Glycine 0 N--CA 1.476 1.348 0 CA-C-N 119.946 1.873 . . . . 0.0 113.982 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB2' ' H ' ' A' ' 19' ' ' LYS . . . -68.01 -38.58 82.77 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.214 -1.168 . . . . 0.0 113.518 -173.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.01 -26.43 33.85 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.614 0.766 . . . . 0.0 111.983 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -60.6 3.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.254 1.021 . . . . 0.0 111.718 164.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.67 -30.37 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -120.69 -12.55 8.85 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.35 -34.12 8.9 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 121.508 -0.745 . . . . 0.0 113.62 166.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtm-85 47.83 43.54 17.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.479 1.512 . . . . 0.0 113.317 171.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.15 153.91 17.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.725 1.21 . . . . 0.0 111.804 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.8 143.77 26.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.635 1.207 . . . . 0.0 111.746 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 125.51 23.04 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.414 -0.804 . . . . 0.0 109.629 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 -4.21 48.15 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.536 1.541 . . . . 0.0 116.07 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.36 112.13 2.3 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.656 1.728 . . . . 0.0 111.71 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.82 94.37 2.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.899 1.28 . . . . 0.0 111.064 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.25 143.77 55.14 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.307 1.843 . . . . 0.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -133.3 -37.15 0.97 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.979 1.712 . . . . 0.0 112.993 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -136.89 166.18 24.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.817 1.247 . . . . 0.0 112.072 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.23 158.45 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.406 1.482 . . . . 0.0 111.133 -164.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -51.87 132.35 31.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.933 0.873 . . . . 0.0 112.459 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.57 -2.87 0.71 Allowed Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -173.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -141.82 94.31 2.66 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.275 2.037 . . . . 0.0 112.122 -172.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -62.81 65.47 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.612 2.365 . . . . 0.0 114.363 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.95 -27.89 69.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.277 21.4 m 45.8 -1.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 130.063 3.345 . . . . 0.0 118.406 -167.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.68 38.48 0.02 OUTLIER Glycine 0 CA--C 1.539 1.552 0 CA-C-N 120.075 1.307 . . . . 0.0 116.025 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.62 149.9 48.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.938 1.869 . . . . 0.0 113.276 -172.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -67.02 155.79 37.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -161.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -57.43 -26.95 61.94 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -168.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -59.53 -13.95 11.08 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -122.2 22.09 10.26 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.755 0.822 . . . . 0.0 111.966 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.24 -50.85 0.22 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.07 69.17 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.397 -1.44 . . . . 0.0 113.065 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -54.53 -34.42 61.74 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 113.779 167.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.1 -55.34 4.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.05 0.94 . . . . 0.0 109.747 170.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.4 mtm -51.56 -34.76 38.2 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.7 m -64.3 -32.13 73.61 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.283 -0.886 . . . . 0.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -83.51 -9.91 58.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 m -30.48 -51.48 0.15 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 128.12 2.568 . . . . 0.0 116.761 -172.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 58.61 -17.62 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.6 p -143.18 -40.82 0.31 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -165.38 127.66 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 119.957 1.253 . . . . 0.0 110.806 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 117.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 165.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.8 p -74.84 144.08 43.61 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.174 -0.954 . . . . 0.0 108.953 148.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.5 mt -145.19 169.17 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.573 2.349 . . . . 0.0 108.57 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -136.67 129.42 30.63 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.481 1.112 . . . . 0.0 108.157 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.2 m -142.8 165.11 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.865 0.866 . . . . 0.0 112.933 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 125.115 1.366 . . . . 0.0 112.05 174.663 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 18.7 tt -79.06 125.97 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.4 HG13 ' CG2' ' A' ' 94' ' ' VAL . 2.4 mm -114.16 149.3 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 t -128.86 125.81 38.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 1.6 t -111.46 134.86 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -108.41 154.49 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -94.35 107.3 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -89.8 -57.6 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -75.22 -1.3 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.3 33.87 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.497 ' O ' ' C ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -95.45 158.04 15.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -29.24 -61.9 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 162.92 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.519 0.776 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.09 49.27 22.39 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.18 159.11 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.4 m -145.37 108.86 4.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.513 ' CD1' ' HE2' ' A' ' 83' ' ' MET . 0.5 OUTLIER -131.59 175.2 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 75.2 t -149.87 167.76 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 28' ' ' VAL . . . -150.76 116.76 5.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG21 ' CD2' ' A' ' 63' ' ' LEU . 1.6 mt -94.85 150.54 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.382 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.576 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -145.33 164.81 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.94 118.8 59.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.2 ttmt -74.09 -48.46 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 3.1 p 156.69 173.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 47' ' ' LYS . 19.3 m -89.56 128.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -39.49 -31.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 8.8 tptt 86.51 27.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.369 1.043 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.483 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -162.43 45.6 0.35 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.67 164.09 27.12 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -63.13 -58.72 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -68.91 -15.32 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -71.41 -51.78 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -80.21 -49.5 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 31.7 t70 -60.98 -50.57 72.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -63.39 -54.75 29.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 55.91 45.02 24.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.257 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.41 148.39 49.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.37 161.16 22.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.15 119.26 31.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 109.05 43.66 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -103.81 120.77 41.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 95' ' ' ALA . 4.6 tt0 -74.0 109.68 7.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.516 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 3.9 tp -94.76 155.91 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -147.72 -37.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.09 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.513 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 1.4 p -105.83 149.43 26.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.631 ' CG2' ' HG3' ' A' ' 83' ' ' MET . 0.8 OUTLIER -122.66 154.58 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.49 ' CA ' ' O ' ' A' ' 91' ' ' THR . 28.1 t0 -69.98 109.56 4.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.41 -23.54 7.99 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -151.11 125.33 9.35 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.617 0.834 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.505 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 19.3 m -75.49 76.17 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CG ' ' HB2' ' A' ' 74' ' ' LEU . 8.5 mp -54.71 -56.05 23.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.01 -6.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.426 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 148.15 55.9 0.02 OUTLIER Glycine 0 CA--C 1.527 0.841 0 O-C-N 124.554 1.159 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.603 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 12.5 mt -118.77 174.52 6.23 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.371 0.689 . . . . 0.0 109.198 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.46 160.24 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.478 ' CG ' ' HB1' ' A' ' 29' ' ' ALA . 6.0 mm100 -84.71 -16.38 41.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -39.04 -63.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -49.87 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -48.75 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -22.48 -67.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -41.29 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -56.21 -16.86 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.631 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.7 -3.65 35.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 111.056 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' ' O ' ' A' ' 80' ' ' ALA . 85.6 m -87.07 -57.72 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.375 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -67.37 59.41 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 110.158 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 87' ' ' SER . 1.4 m -87.45 -56.89 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 1.051 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 26.32 74.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.929 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 153.71 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.482 ' C ' HG21 ' A' ' 86' ' ' THR . 4.4 p -157.73 136.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -117.68 99.53 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.5 ' C ' HD22 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -93.18 107.82 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.542 ' CD2' ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.22 152.41 51.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.513 ' CB ' ' OG ' ' A' ' 65' ' ' SER . 17.1 tt0 -99.35 127.48 45.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.232 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.4 m -126.43 167.74 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.02 118.93 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.567 ' CG1' ' CG2' ' A' ' 94' ' ' VAL . 14.1 mm -108.48 156.86 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 t -136.73 139.08 41.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.492 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -127.29 108.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.629 1.206 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.457 ' CA ' HG22 ' A' ' 89' ' ' VAL . 18.9 m -88.26 153.34 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -87.89 92.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -76.86 -62.22 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.62 -3.55 56.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 27.5 mt-30 52.19 41.52 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -91.35 36.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 80.91 -58.11 4.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.557 1.16 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.465 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 165.41 -76.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' C ' ' OD1' ' A' ' 52' ' ' ASP . . . 99.65 -8.61 60.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.391 1.057 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' CD2' HG13 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -63.36 155.11 29.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.743 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -143.81 106.36 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 109.972 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.485 HD12 ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -126.26 167.57 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 56.0 t -150.83 161.7 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . . . -132.91 146.84 52.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -102.88 147.72 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.243 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -148.22 158.33 44.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 73.9 t -97.04 123.95 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.1 tttm -74.01 -63.51 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 34.9 p 177.44 176.21 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.488 HG13 ' CD2' ' A' ' 25' ' ' LEU . 12.6 m -101.38 127.56 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 2.4 t -41.2 -28.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 9.3 tptt 74.22 32.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.33 28.33 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 52' ' ' ASP . . . -120.34 177.95 16.42 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 20' ' ' GLN . . . -69.09 -66.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 0.762 . . . . 0.0 109.208 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.492 ' CB ' ' CG1' ' A' ' 15' ' ' VAL . . . -71.87 -4.47 28.24 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' N ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -79.8 -51.73 8.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -80.35 -32.77 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -79.79 -56.2 4.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.36 -56.98 16.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.94 43.37 30.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD2' HG23 ' A' ' 13' ' ' ILE . 10.1 mt -71.27 169.91 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.81 148.97 23.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.64 116.1 28.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 115.79 22.09 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -74.77 170.8 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.523 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 12.4 tt0 -120.67 109.17 14.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 2.3 tp -85.34 155.54 21.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.861 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 4.0 mm? -140.57 -43.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.553 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.21 168.1 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.541 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 7.2 p -126.76 167.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.526 ' CA ' ' O ' ' A' ' 91' ' ' THR . 48.0 t0 -70.19 131.13 43.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.32 -12.42 45.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 19.3 mtp85 -150.47 111.01 4.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.791 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.414 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 71.3 m -81.13 85.93 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.861 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 2.2 mt -57.39 -53.07 62.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.687 1.242 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.615 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.14 -5.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.572 ' CA ' HD12 ' A' ' 64' ' ' LEU . . . 144.76 47.25 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 17.2 mt -108.49 173.2 6.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 0.799 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.57 149.66 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.085 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.7 pm0 -65.47 -12.44 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.21 -66.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.699 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -45.13 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.66 -84.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' A' ' 83' ' ' MET . 16.4 tt0 -45.81 -65.75 0.5 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.538 1.149 . . . . 0.0 110.196 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.627 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -71.15 11.34 0.43 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.552 ' H ' ' C ' ' A' ' 81' ' ' GLU . 48.1 ttp -117.82 -18.83 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.9 m -87.96 -53.34 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.97 59.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.566 ' CB ' HG12 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.87 -56.87 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.0 m 66.28 -59.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.155 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -73.13 -81.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.918 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.457 HG22 ' CA ' ' A' ' 16' ' ' THR . 13.1 p -144.92 155.16 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -115.05 92.23 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.526 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 5.7 p -94.27 109.02 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.432 1.082 . . . . 0.0 110.352 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -129.48 157.08 42.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.422 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.567 ' CG2' ' CG1' ' A' ' 13' ' ' ILE . 16.5 m -117.09 164.0 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 tt -89.35 113.63 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.5 mt -112.41 149.3 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.505 ' CG2' HG22 ' A' ' 91' ' ' THR . 59.6 p -123.54 110.8 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG1' HG23 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -96.16 114.9 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.7 m -93.47 161.8 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -97.36 105.66 17.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -56.28 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -75.54 -2.4 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 55.52 34.61 23.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.358 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.503 ' O ' ' C ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -98.44 159.11 15.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -28.21 -61.95 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.58 -56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 69.83 57.35 7.21 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.428 1.08 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.496 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -121.19 162.12 20.7 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.412 0.713 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t -145.69 115.42 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.511 ' CD1' ' HE3' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.15 170.71 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 p -152.7 150.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.492 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . . . -124.72 145.77 49.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -101.57 148.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 61.8 m-85 -150.2 165.54 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.02 121.54 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.2 OUTLIER -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.389 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.9 p 157.05 174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.496 HG12 ' CD2' ' A' ' 25' ' ' LEU . 21.1 m -92.43 127.4 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.504 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 18.2 t -41.45 -33.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 2.9 tptt 86.84 22.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.9 49.06 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -145.81 166.74 27.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.56 -56.27 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -68.48 -24.23 64.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.397 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -61.76 -52.67 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -80.98 -56.34 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.68 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.47 -57.2 10.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 55.42 45.13 25.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 110.188 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.5 mt -69.75 159.52 33.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.96 146.32 28.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.558 1.161 . . . . 0.0 109.201 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.82 114.82 26.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.0 18.25 4.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 32.8 m-20 -73.93 171.32 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 51.6 tt0 -120.92 107.42 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 2.0 tp -86.78 154.16 21.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -143.85 -42.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.484 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -116.08 167.17 11.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.565 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 10.9 p -129.15 165.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.424 1.077 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.539 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.1 p-10 -71.13 127.35 32.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 69' ' ' ARG . . . 88.69 -16.21 54.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.519 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -145.4 117.42 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -85.06 82.46 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.626 1.204 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.831 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 1.7 mt -58.47 -53.52 57.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.651 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.18 -6.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.408 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.406 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 144.44 55.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.617 1.198 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.56 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 24.5 mt -116.95 173.81 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.8 m -71.73 147.39 47.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -66.25 -9.98 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.631 1.207 . . . . 0.0 110.354 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.424 ' N ' HE21 ' A' ' 76' ' ' GLN . 50.0 mt-10 -43.36 -76.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -50.52 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.7 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -45.96 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.7 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -0.41 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.546 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.6 tt0 -42.88 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -71.36 12.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.565 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 59.6 ttp -120.76 -14.32 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.075 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 80' ' ' ALA . 2.2 m -91.23 -52.32 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -67.77 53.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.213 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.555 HG22 ' CA ' ' A' ' 90' ' ' VAL . 1.8 m -89.62 -55.46 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.455 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER 31.46 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 152.81 -51.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.052 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 86' ' ' THR . 0.3 OUTLIER -177.24 122.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.555 ' CA ' HG22 ' A' ' 86' ' ' THR . 0.0 OUTLIER -113.77 101.48 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.539 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 20.1 p -95.95 112.72 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.13 153.76 44.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' CB ' ' OG ' ' A' ' 65' ' ' SER . 4.6 tt0 -96.49 107.7 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 26.2 m -113.36 163.7 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.307 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 tt -90.36 108.95 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.439 ' CG1' HG23 ' A' ' 94' ' ' VAL . 2.6 mm -94.26 151.25 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.458 ' CB ' HG22 ' A' ' 91' ' ' THR . 3.5 t -138.56 117.09 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -112.05 148.72 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -125.32 148.4 48.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.2 101.94 6.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.63 -50.89 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -5.04 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 54.0 40.07 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.52 36.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.137 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.479 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 76.95 -53.28 3.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.408 1.067 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.479 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 165.65 -79.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.054 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 86.32 57.65 2.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -124.46 166.48 15.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -148.04 121.37 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.078 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CD1' ' HE2' ' A' ' 83' ' ' MET . 0.5 OUTLIER -139.19 174.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.215 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 p -152.22 170.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.89 146.29 33.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 109.385 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.573 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -107.08 147.22 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 55.2 m-85 -149.62 165.3 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 15.5 t -104.24 124.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 ttmm -73.87 -43.13 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.8 t 152.19 175.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 18.8 m -87.56 131.75 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.491 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 13.7 t -45.94 -25.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 77.4 101.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.53 12.6 11.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -95.16 174.62 32.72 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.01 -58.03 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 0.818 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -76.41 -9.17 58.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.0 -53.69 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.422 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 99.4 t -75.89 -33.64 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -78.72 -48.77 14.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.59 -49.68 35.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.4 1.062 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 55.45 45.44 25.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 0.769 . . . . 0.0 110.267 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.99 163.73 23.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.344 1.027 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.25 162.96 12.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 109.261 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.74 122.34 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.447 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.52 6.17 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.408 1.068 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -73.73 114.93 12.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.635 0.844 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 10.6 tt0 -74.17 110.11 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.361 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.504 HD21 ' CG2' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -88.8 153.59 20.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.3 mt -143.62 -40.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 4.3 m -119.64 168.9 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.622 ' CG2' ' CD1' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -121.26 -175.24 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.443 1.09 . . . . 0.0 109.427 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 91' ' ' THR . 63.1 t0 -65.33 113.64 4.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.96 13.42 8.48 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -129.71 72.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.362 0.683 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 2.5 p -63.05 115.37 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.622 ' CD1' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -104.11 -33.49 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.594 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.23 -6.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.479 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 140.33 59.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.382 1.051 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 57.1 mt -108.42 172.81 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.756 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 163.63 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -69.01 -12.11 61.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.04 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -51.03 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -51.16 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -8.19 -77.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.539 ' C ' ' H ' ' A' ' 83' ' ' MET . 18.0 tt0 -39.95 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -71.64 12.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.54 ' CG ' ' CG1' ' A' ' 66' ' ' VAL . 20.2 ttp -119.21 -6.17 10.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.0 m -106.64 -49.5 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -64.13 60.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.387 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.573 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -84.23 -52.88 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.1 m 34.59 57.86 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 159.17 -68.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.432 ' N ' HG23 ' A' ' 86' ' ' THR . 3.3 m -149.13 149.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.544 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -119.51 101.93 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.608 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -101.79 136.41 41.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.559 ' CD2' ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -162.67 154.6 18.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 20.3 tt0 -95.54 109.41 21.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 19.1 m -120.53 170.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.56 129.28 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 1.4 mt -119.28 150.09 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.594 1.184 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.493 ' CG2' HG21 ' A' ' 91' ' ' THR . 10.0 p -127.42 115.99 19.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.388 1.055 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.2 106.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -87.07 159.87 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -92.25 105.01 17.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -86.76 -52.84 5.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -95.44 -3.23 47.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 4.0 mt-30 52.2 41.04 30.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 57.3 t-20 -96.84 55.97 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 68.08 -72.72 0.29 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.481 ' CE ' ' CG1' ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.37 -63.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 96.13 -14.07 65.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -57.9 152.35 16.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 m -144.85 108.94 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.489 HD11 ' CE ' ' A' ' 83' ' ' MET . 0.6 OUTLIER -126.97 170.22 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.41 156.62 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.307 1.004 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -125.8 136.84 53.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.268 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.533 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -100.03 141.73 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -147.62 163.28 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -100.62 123.19 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -75.13 -48.6 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.6 p 158.28 178.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.55 ' CG1' ' HB2' ' A' ' 52' ' ' ASP . 19.1 t -100.19 144.02 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.646 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -58.87 -44.08 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 12.8 tptt 99.93 20.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.61 43.04 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -133.75 169.0 23.0 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -66.13 -63.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 0.755 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -70.01 -4.7 22.07 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.531 1.145 . . . . 0.0 109.394 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -78.04 -54.09 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 t -79.97 -30.78 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.61 -57.07 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.44 -59.92 8.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 55.59 44.15 27.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.77 171.2 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.54 148.8 21.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.69 118.35 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.62 18.65 4.77 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -74.7 170.7 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 38.4 tt0 -122.16 108.13 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 2.1 tp -86.18 153.78 21.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.829 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.2 mt -144.46 -39.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.563 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.87 165.44 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.538 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 7.1 p -129.46 166.4 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.559 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -71.06 129.09 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.408 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.74 -12.31 59.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 13.6 mtp180 -149.26 113.46 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 0.808 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.414 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 18.9 m -82.0 78.03 8.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.829 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 3.7 mt -52.21 -58.02 7.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' C ' ' HB3' ' A' ' 64' ' ' LEU . 4.0 t 84.34 -9.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.485 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 150.18 46.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 10.7 mt -107.45 172.22 6.95 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.54 0.788 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.43 146.95 44.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.417 1.073 . . . . 0.0 109.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -64.18 -10.27 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -42.57 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.698 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -45.71 -85.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.698 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 0.49 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.542 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.2 tt0 -43.94 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.62 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.26 12.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.542 ' H ' ' C ' ' A' ' 81' ' ' GLU . 50.0 ttp -119.75 -17.7 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.5 m -89.44 -55.41 3.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -66.1 60.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.522 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.67 -57.55 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.01 -58.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.011 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 86' ' ' THR . 5.4 m -71.06 -80.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.442 ' C ' HG23 ' A' ' 86' ' ' THR . 5.6 p -146.64 152.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.522 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -115.61 94.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.559 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 6.9 p -97.54 109.51 22.25 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.407 1.067 . . . . 0.0 110.467 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -130.31 159.42 37.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.203 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.55 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.482 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 5.4 m -117.51 158.87 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.221 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CD1' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -99.43 120.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.434 HD13 ' CD2' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -107.27 148.81 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -132.58 114.41 14.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 3.4 t -113.04 125.12 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' A' ' 89' ' ' VAL . 88.7 m -102.2 138.56 38.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.94 106.51 0.83 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -91.3 -50.58 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -86.19 -7.22 58.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 52.22 40.58 29.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 10.5 t30 -93.19 52.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 67.63 -59.01 0.32 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 168.93 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 89.48 32.62 10.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.0 mt -108.81 152.25 25.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 0.706 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -137.98 108.22 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.062 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.6 170.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.0 t -151.42 157.82 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . . . -139.47 133.66 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 41' ' ' TYR . 4.6 mt -109.73 166.39 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 69.3 m-85 -160.98 162.79 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -106.72 117.94 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.94 -52.91 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.625 1.203 . . . . 0.0 109.374 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 169.04 173.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 17.2 m -101.48 135.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -40.37 -32.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 86.99 7.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -153.38 37.37 0.74 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.458 1.099 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -120.36 175.55 15.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 17' ' ' LEU . . . -70.75 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 0.812 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . . . -67.54 -20.6 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.54 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -66.62 -52.74 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.53 -58.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.84 -52.59 56.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.265 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -66.17 -53.68 28.32 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.579 1.175 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 55.42 44.78 26.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' CD2' HD13 ' A' ' 13' ' ' ILE . 12.0 mt -70.59 155.98 40.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.6 151.77 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.02 114.13 25.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.73 28.33 2.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.73 157.11 16.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 109.352 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' ALA . 8.5 tt0 -101.84 116.84 33.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' A' ' 92' ' ' LEU . 1.5 tp -101.64 158.11 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -147.64 -32.58 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.619 1.2 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -111.44 152.35 27.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.516 HG12 ' CB ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -126.26 163.96 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.13 124.76 24.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.59 -14.19 64.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -147.6 104.4 3.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.351 0.677 . . . . 0.0 110.364 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.466 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 16.5 m -73.16 61.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.607 ' CG ' ' HB2' ' A' ' 74' ' ' LEU . 10.7 mp -37.99 -65.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.551 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 87.97 -10.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.24 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 64' ' ' LEU . . . 157.04 51.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.646 1.216 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 12.1 mt -120.87 172.36 7.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 0.817 . . . . 0.0 109.384 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 158.04 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 16.2 pt20 -82.61 -15.22 52.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.415 ' HG2' ' HG3' ' A' ' 78' ' ' ARG . 1.2 tt0 -40.19 -55.53 2.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -84.82 -56.06 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB1' ' CD1' ' A' ' 71' ' ' LEU . . . -45.98 -65.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.619 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -32.25 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.64 1.213 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 84' ' ' THR . 19.0 tt0 -36.27 -72.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 1.7 tm? -44.85 -28.0 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.64 ' SD ' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -87.22 -30.35 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -52.35 -52.59 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.181 . . . . 0.0 110.481 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -70.58 57.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -82.17 -52.12 7.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 5.02 74.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.3 m 156.45 -47.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 16' ' ' THR . 2.3 p -176.73 139.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.51 ' HB ' ' CG2' ' A' ' 86' ' ' THR . 1.4 p -131.27 146.66 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.536 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 80.2 p -152.84 145.67 24.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.64 ' CD2' ' SD ' ' A' ' 83' ' ' MET . 1.2 mp -151.45 164.97 35.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.631 1.207 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.496 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 15.2 tt0 -109.95 113.46 26.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.401 ' CG1' HD13 ' A' ' 63' ' ' LEU . 9.7 m -104.5 162.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.175 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.206 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 tt -85.05 111.38 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.208 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.47 HG13 ' CG2' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -99.9 142.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.18 111.07 17.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.527 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -106.73 115.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.44 ' OG1' ' CG2' ' A' ' 89' ' ' VAL . 10.6 m -100.76 151.33 21.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -77.9 119.53 21.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.16 -49.77 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -93.77 -3.83 51.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 54.89 40.6 32.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 34.0 t-20 -90.1 43.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.416 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 72.02 -56.45 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.463 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 165.0 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 0.707 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 79.88 58.73 2.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 45' ' ' VAL . 1.8 mt -124.28 159.77 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -144.51 109.18 4.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.462 HD13 ' CE ' ' A' ' 83' ' ' MET . 0.4 OUTLIER -131.41 171.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 p -151.44 159.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 40' ' ' ILE . . . -139.22 127.83 23.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -106.59 145.29 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 55.6 m-85 -148.1 160.94 42.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 t -99.26 123.23 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' SER . 20.9 tptt -74.32 -51.32 15.55 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 168.11 173.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.959 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 25' ' ' LEU . 17.0 m -97.18 135.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.38 1.05 . . . . 0.0 109.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.4 t -39.75 -33.07 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.338 1.024 . . . . 0.0 109.284 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 14.0 tptt 86.81 5.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -149.99 36.18 0.97 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -119.63 174.46 15.49 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -73.74 -54.97 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.527 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . . . -73.99 -11.32 60.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.202 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -78.92 -52.9 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.7 t -80.34 -32.72 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 30.7 t70 -80.14 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -62.46 -50.61 63.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 55.47 46.0 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 0.708 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.7 mt -68.79 155.79 39.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.376 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.98 143.68 28.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.9 118.46 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.95 16.9 5.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 12.4 m-20 -73.61 170.86 14.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -123.18 109.13 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.339 1.025 . . . . 0.0 110.223 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 1.7 tp -87.33 156.91 19.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -144.5 -40.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.455 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.34 166.05 14.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 69' ' ' ARG . 9.3 p -128.15 169.82 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.519 ' CA ' ' O ' ' A' ' 91' ' ' THR . 60.7 t0 -70.21 135.14 48.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.32 8.23 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.577 ' CB ' ' CG1' ' A' ' 66' ' ' VAL . 3.2 mtt85 -153.44 85.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -69.5 91.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.807 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -71.12 -51.76 23.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.644 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.08 -6.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.379 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 145.52 55.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 18.8 mt -120.27 173.02 7.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 152.7 41.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.21 -8.56 32.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 36.6 mt-10 -40.9 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -59.57 4.78 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.719 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -47.24 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.719 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.4 -81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.6 tt0 -42.96 -68.04 0.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -73.98 13.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.534 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 50.5 ttp -118.55 -13.43 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.4 m -97.64 -56.9 2.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -67.64 56.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 110.386 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 89' ' ' VAL . 31.6 m -87.13 -54.39 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.2 m 32.42 82.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 87' ' ' SER . 2.1 t 151.26 -55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.955 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.535 ' O ' ' CG2' ' A' ' 86' ' ' THR . 5.3 p -174.5 120.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.5 HG12 ' CB ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -104.06 98.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.138 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.519 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 3.3 p -95.19 109.85 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -124.01 157.14 35.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 7.5 tm-20 -104.23 115.33 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.582 1.176 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.47 ' CG2' HG13 ' A' ' 13' ' ' ILE . 16.9 m -115.6 170.2 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.373 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tt -85.6 117.5 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.405 HD12 ' CG2' ' A' ' 94' ' ' VAL . 0.6 OUTLIER -118.08 150.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.463 ' CB ' HG22 ' A' ' 91' ' ' THR . 11.2 t -127.56 134.7 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.457 ' CG1' HG22 ' A' ' 90' ' ' VAL . 12.3 p -123.1 156.38 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.474 ' CG2' HG22 ' A' ' 89' ' ' VAL . 10.6 m -136.63 140.33 42.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 ' CB ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -58.11 87.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -74.72 -60.41 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -6.4 57.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 52.83 41.26 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.299 0.999 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' MET . 20.8 t-20 -100.93 54.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 67.84 -60.02 0.35 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.47 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 167.27 -70.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.636 0.845 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 74.63 74.34 0.87 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -140.65 160.51 39.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.438 0.728 . . . . 0.0 109.347 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.46 110.49 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.055 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.431 HG13 ' NE2' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -130.52 168.02 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -151.09 142.71 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . . . -131.89 129.54 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.204 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 1.7 mt -101.91 164.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.524 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 54.3 m-85 -157.97 172.86 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 55.4 t -112.32 118.05 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -74.96 -45.46 42.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 p 159.96 172.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 5.7 m -95.92 144.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.6 t -50.14 -30.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 18.4 tptt 87.55 8.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.34 38.28 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -126.87 176.08 17.8 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -65.11 -71.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.452 ' O ' ' CA ' ' A' ' 55' ' ' GLY . . . -56.16 -34.6 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.93 -54.64 27.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -80.83 -70.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.624 1.203 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -45.93 -61.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -55.45 -56.58 22.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.65 44.19 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.51 154.38 41.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.232 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 151.29 34.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.21 114.81 27.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 122.99 9.12 6.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.436 1.085 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -74.77 168.41 19.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 4.0 tt0 -114.05 110.71 20.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.579 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 4.6 tp -91.83 158.66 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.22 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -148.76 -30.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.618 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -114.66 145.86 41.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.617 ' CG2' ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -120.32 159.02 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -70.94 113.29 7.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 109.203 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.45 -15.57 27.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 1.8 mtp85 -151.21 112.29 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.235 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 50.3 m -71.05 59.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' A' ' 65' ' ' SER . 9.9 mp -37.81 -65.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 70' ' ' SER . 38.4 t 71.8 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.522 ' HA2' ' CD1' ' A' ' 64' ' ' LEU . . . 167.49 51.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.601 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 9.7 mt -130.57 169.89 14.99 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 0.787 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.413 ' O ' HD21 ' A' ' 71' ' ' LEU . 0.8 OUTLIER -81.81 162.46 22.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 pt20 -82.84 -10.93 58.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.06 -61.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -48.41 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.321 1.013 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.571 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -51.2 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -27.01 -63.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.98 -69.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -59.18 -11.96 4.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.617 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.62 -11.46 22.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 80' ' ' ALA . 32.0 m -83.03 -56.01 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -67.61 58.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.548 ' O ' ' C ' ' A' ' 87' ' ' SER . 1.2 m -86.74 -56.21 3.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 26.81 71.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 156.94 -66.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.493 ' C ' HG23 ' A' ' 86' ' ' THR . 0.3 OUTLIER -154.57 137.83 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.518 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -120.48 162.77 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.495 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -151.12 136.35 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 63' ' ' LEU . 5.1 mp -150.62 135.73 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.8 108.6 19.89 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.405 ' CG2' HD12 ' A' ' 13' ' ' ILE . 2.9 m -100.32 166.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -90.57 113.67 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' CG1' ' CG2' ' A' ' 94' ' ' VAL . 4.1 mm -110.57 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 t -134.18 131.53 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -120.89 108.23 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.2 m -92.08 146.77 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -74.59 104.83 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.62 -52.25 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -97.88 -3.86 37.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.325 1.015 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.506 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 37.7 mt-30 52.28 41.94 30.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' HB3' ' N ' ' A' ' 50' ' ' ALA . 58.6 t-20 -90.64 38.4 0.94 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 88.16 -72.2 2.43 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.425 1.078 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 170.68 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' O ' HG12 ' A' ' 45' ' ' VAL . . . 84.27 58.95 2.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.39 1.057 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD21 ' O ' ' A' ' 24' ' ' GLY . 21.1 mt -130.5 154.73 47.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 109.367 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -144.61 116.17 8.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.052 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.501 HD13 ' CE ' ' A' ' 83' ' ' MET . 0.7 OUTLIER -138.82 172.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.223 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 74.7 t -152.66 166.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 28' ' ' VAL . . . -138.72 131.5 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -101.98 150.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 58.2 m-85 -150.67 161.8 41.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -102.93 123.19 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.9 tppt? -74.56 -51.55 14.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.3 p 160.79 176.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG13 ' CB ' ' A' ' 52' ' ' ASP . 11.2 t -90.42 150.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 14.0 t -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 6.0 tptt 94.36 31.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -167.87 48.43 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.41 168.22 25.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -65.82 -60.45 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -71.7 -5.68 35.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.58 ' CB ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -76.77 -54.1 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 t -81.3 -32.3 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.6 -60.55 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -49.78 -57.02 10.2 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.574 1.171 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 55.18 44.64 27.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 0.79 . . . . 0.0 110.222 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.33 157.27 38.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.03 15.05 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.49 117.59 34.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.99 16.29 5.85 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -74.77 116.63 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 0.818 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 25.0 tt0 -73.32 112.02 8.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.55 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 1.7 tp -92.25 154.89 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -147.45 -37.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.58 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -111.25 155.19 23.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.584 ' CG2' ' CG ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -125.3 161.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.494 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.1 t0 -70.64 123.71 22.52 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.19 72.75 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' O ' HG11 ' A' ' 66' ' ' VAL . 36.9 mtt180 -150.38 118.41 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.8 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.518 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 24.3 p -82.04 77.27 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.95 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.586 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 6.9 mp -55.67 -51.52 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' C ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER 75.57 -6.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 144.65 55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 14.5 mt -116.82 173.71 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 0.805 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 155.64 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 3.3 pp0? -72.68 -6.21 42.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -44.31 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.395 1.06 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -51.08 60.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.201 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.695 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.13 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.04 . . . . 0.0 109.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -10.67 -75.34 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.393 1.058 . . . . 0.0 109.42 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' ' 83' ' ' MET . 4.5 tm-20 -43.3 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.555 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.04 11.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.692 1.245 . . . . 0.0 109.304 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.584 ' CG ' ' CG2' ' A' ' 66' ' ' VAL . 45.6 ttp -118.6 -10.0 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -100.21 -47.28 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 ttp-105 -66.53 59.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.521 ' OG1' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.41 -53.68 5.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.466 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 30.99 47.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.937 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m 175.13 -67.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.436 ' N ' HG23 ' A' ' 86' ' ' THR . 12.3 p -152.91 155.34 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.521 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.75 92.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.216 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.494 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 1.7 p -93.96 110.56 22.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.438 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -135.4 158.75 43.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 0.5 OUTLIER -100.11 111.46 23.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.516 ' CG2' ' CG1' ' A' ' 13' ' ' ILE . 26.6 m -112.78 169.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.4 tt -75.74 115.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mm -124.73 148.65 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.481 ' CB ' HG22 ' A' ' 91' ' ' THR . 39.8 p -120.3 123.53 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.384 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.42 129.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.352 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 89' ' ' VAL . 21.0 m -120.97 131.05 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -53.01 112.79 0.92 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.07 -47.59 5.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -94.3 -2.97 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 53.01 39.27 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 53.4 t-20 -92.56 49.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 68.5 -59.66 0.46 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.453 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 166.91 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.36 74.68 0.75 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.499 ' CD2' HG11 ' A' ' 45' ' ' VAL . 3.9 mt -139.9 165.89 26.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.817 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.9 t -147.13 115.18 6.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.38 1.05 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.488 HD11 ' CE ' ' A' ' 83' ' ' MET . 0.6 OUTLIER -133.23 172.34 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 29' ' ' ALA . 79.3 t -150.55 142.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 76' ' ' GLN . . . -129.1 125.64 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.327 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -105.08 156.47 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.627 0.839 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 59.7 m-85 -154.65 166.74 32.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.86 120.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.9 tppt? -75.47 -45.58 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.2 p 158.39 173.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 25' ' ' LEU . 5.0 m -89.7 143.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.491 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 2.7 t -52.7 -23.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.365 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HA ' ' OD1' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 78.45 15.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -159.07 40.03 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -133.7 173.68 21.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -65.05 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -57.53 -29.29 64.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -57.34 -53.97 52.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -80.75 -64.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -49.76 -61.27 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -54.15 37.38 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 55.53 44.48 26.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.39 152.39 44.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.379 1.049 . . . . 0.0 109.328 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . . . -82.85 164.68 20.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.07 120.72 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.02 19.54 5.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -82.63 118.4 23.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.442 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 6.0 tt0 -74.31 112.51 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 92' ' ' LEU . 2.9 tp -94.58 154.81 17.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.33 -34.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -113.21 157.01 22.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.089 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 71' ' ' LEU . 5.0 t -125.01 173.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 69' ' ' ARG . 45.0 t0 -62.15 136.1 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 46.03 18.9 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 71' ' ' LEU . 12.1 mtp180 -151.26 77.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.408 0.711 . . . . 0.0 110.233 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 m -63.29 77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.949 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.571 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 8.9 mp -54.31 -52.01 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 85.59 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 144.77 54.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 14.4 mt -115.0 175.34 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.26 165.07 23.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.938 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -78.24 -15.6 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 2.0 mm-40 -39.43 -71.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -40.21 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.697 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -56.02 -91.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.697 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.06 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.9 tt0 -37.68 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -73.2 15.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.556 ' H ' ' C ' ' A' ' 81' ' ' GLU . 42.9 ttp -122.65 -4.77 8.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.455 1.097 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -107.18 -48.23 3.51 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -64.7 60.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.567 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -83.56 -54.36 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 30.29 52.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.8 m 164.81 -61.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.43 ' N ' HG23 ' A' ' 86' ' ' THR . 13.1 p -158.61 140.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 90' ' ' VAL . 0.5 OUTLIER -129.6 112.41 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.538 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -95.46 163.68 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 110.445 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.538 ' CD1' ' O ' ' A' ' 91' ' ' THR . 0.7 OUTLIER -168.17 139.57 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.403 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -105.16 107.18 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 4.0 m -104.79 169.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 20.6 tt -92.12 129.34 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 HG13 ' CG2' ' A' ' 94' ' ' VAL . 1.6 mm -116.04 145.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.486 ' CB ' HG22 ' A' ' 91' ' ' THR . 72.1 p -122.54 118.18 27.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -110.33 109.18 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 m -94.59 153.85 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -83.3 102.29 11.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.394 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -85.76 -52.6 5.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.39 -5.97 53.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 3.5 mm100 54.08 40.17 31.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.626 1.204 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' HB2' ' N ' ' A' ' 50' ' ' ALA . 55.4 m-20 -89.21 40.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 78.05 -60.39 3.85 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.158 . . . . 0.0 111.054 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.463 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 166.33 -70.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 78.91 47.36 7.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -116.67 161.26 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.2 t -144.32 117.19 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 110.071 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.516 HG12 ' CE ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -124.57 172.14 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.6 t -153.63 148.64 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.33 137.95 51.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.091 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -102.83 138.83 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.611 0.83 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 51.0 m-85 -145.72 156.56 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 9.6 t -89.89 123.52 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 44' ' ' SER . 4.0 tttp -72.96 -43.55 62.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.5 p 151.62 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.624 1.202 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 m -93.66 154.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 55.5 t -71.65 -5.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 2.9 pttt 53.37 30.93 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.96 30.94 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.593 1.183 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -125.53 174.85 17.52 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' N ' ' HB2' ' A' ' 21' ' ' ASN . . . -74.27 -62.1 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . . . -66.79 -10.16 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.605 1.19 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -81.14 -52.67 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.387 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.1 t -74.37 -36.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.5 -48.85 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.623 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -67.3 -45.49 79.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 46.91 41.36 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 110.328 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 mt -70.22 150.52 46.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 109.239 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.2 162.14 17.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.22 123.95 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 9.34 8.54 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 1.5 m-20 -73.63 115.9 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 10.8 tt0 -73.74 110.48 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 HD22 ' CG2' ' A' ' 40' ' ' ILE . 0.5 OUTLIER -89.66 152.23 21.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -143.06 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.674 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.84 160.62 19.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.569 1.168 . . . . 0.0 110.035 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 71' ' ' LEU . 13.3 p -129.89 168.65 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' CA ' ' O ' ' A' ' 91' ' ' THR . 57.8 t0 -72.54 128.0 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.59 3.38 86.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 24.1 mtt-85 -152.25 122.45 7.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.507 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 67.6 m -89.99 70.48 7.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.715 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 77.7 mt -54.1 -56.9 13.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.577 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.31 -6.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 142.85 52.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 46.3 mt -113.17 175.62 5.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.427 0.722 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.84 153.38 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -65.98 -10.73 42.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.85 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -52.97 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.722 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -45.59 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.722 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.01 -83.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.4 tt0 -45.55 -64.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.31 11.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.519 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 12.2 ttp -117.95 -14.85 10.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.369 1.043 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.7 m -96.42 -51.49 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.368 1.042 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -66.07 63.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.535 ' OG1' ' CG1' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.36 -53.3 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 33.35 58.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.5 OUTLIER 163.54 -66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -155.6 156.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.535 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.4 89.9 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.527 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 2.8 p -91.34 111.77 23.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.451 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.422 HD21 ' SD ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -132.37 156.24 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -102.55 124.63 48.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.479 ' CG2' HG13 ' A' ' 13' ' ' ILE . 13.2 m -124.8 166.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.211 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.52 108.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.488 ' CD1' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -99.88 149.76 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.48 ' CB ' HG22 ' A' ' 91' ' ' THR . 67.1 p -136.68 141.6 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.362 1.039 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 7.3 p -142.35 150.53 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.478 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -115.56 154.31 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.385 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -75.46 82.62 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -70.6 -64.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.405 1.065 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -71.87 -6.83 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.83 40.47 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' HA2' ' A' ' 49' ' ' GLY . 27.3 m-20 -92.72 29.47 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 81.3 -49.31 3.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.464 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 166.28 -78.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 85.15 55.76 2.56 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.548 1.155 . . . . 0.0 111.074 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 mt -126.43 150.04 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -133.63 119.33 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.12 164.5 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -151.07 136.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.473 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . . . -124.41 136.27 53.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.558 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.575 ' O ' ' CG ' ' A' ' 41' ' ' TYR . 5.7 mt -109.8 167.47 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 65.0 m-85 -163.5 168.11 20.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' ASP . 25.4 t -107.45 120.21 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.396 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.0 tptt -73.96 -43.46 58.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.2 t 154.42 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -88.16 139.71 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -47.43 -31.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 17.7 tptt 90.32 3.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -152.04 43.81 0.66 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -131.2 176.07 19.24 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -65.24 -70.85 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 0.809 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -57.43 -34.28 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.77 -54.72 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.349 1.03 . . . . 0.0 109.204 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.07 -70.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.612 1.195 . . . . 0.0 109.239 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.57 -61.6 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -52.57 48.16 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 55.46 44.67 26.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.89 164.84 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.42 171.96 8.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.53 133.09 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.88 19.43 10.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -84.19 118.92 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.4 tt0 -73.88 121.7 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 92' ' ' LEU . 1.9 tp -101.8 157.29 16.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 5.2 mt -140.14 -38.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.561 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -110.46 156.7 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.937 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.675 ' CG2' ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -129.17 158.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.383 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -69.83 125.73 27.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.219 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 -15.71 62.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -150.6 114.43 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.532 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 5.5 p -81.39 74.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.632 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.31 -54.78 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.632 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.63 -5.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.472 ' HA2' ' CD2' ' A' ' 64' ' ' LEU . . . 153.23 53.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.531 1.145 . . . . 0.0 111.083 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.58 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 6.2 mt -125.15 173.26 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.48 ' CB ' ' CD ' ' A' ' 77' ' ' GLU . 3.4 m -73.71 156.01 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.698 HE21 ' N ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -82.48 -11.24 58.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.698 ' N ' HE21 ' A' ' 76' ' ' GLN . 1.9 pt-20 -41.02 -57.58 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.14 -52.47 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.549 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -50.52 -72.45 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -28.54 -58.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 109.425 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -42.88 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.208 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.76 -6.68 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.675 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.85 -14.6 19.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 80' ' ' ALA . 6.6 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -67.79 59.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.503 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -84.7 -55.52 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 31.52 53.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.964 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.95 -63.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.09 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.478 ' CG2' ' CG2' ' A' ' 16' ' ' THR . 0.5 OUTLIER -157.85 151.3 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.499 HG12 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.88 143.76 40.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.558 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 35.7 p -151.06 129.41 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.639 ' CD1' HD11 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -155.61 151.64 27.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.523 ' O ' ' CD1' ' A' ' 63' ' ' LEU . 1.6 tt0 -86.82 120.5 28.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.516 ' CG1' HD13 ' A' ' 63' ' ' LEU . 5.2 m -114.86 171.41 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 109.221 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 19.5 tt -92.61 111.38 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -102.17 145.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.615 1.197 . . . . 0.0 109.272 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.479 ' CG2' HG22 ' A' ' 91' ' ' THR . 21.3 p -119.61 112.84 19.82 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.611 1.195 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -105.79 109.23 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -95.18 146.07 24.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -75.76 107.06 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.36 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -47.59 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -91.38 -3.55 56.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 53.21 41.01 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.83 34.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 76.43 -53.47 3.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 166.3 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 87.15 46.95 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.481 ' CD2' HG13 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -115.36 164.02 14.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -146.36 110.84 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.928 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.506 ' CD1' ' CD ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -126.54 177.46 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 4.2 p -153.17 161.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.402 1.064 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -142.32 120.15 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.234 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.227 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.548 ' CG2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -140.14 140.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 28.8 m-85 -140.64 161.09 38.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.91 120.19 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.2 tttt -73.5 -42.6 61.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 154.04 173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.526 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 14.1 m -97.49 136.49 28.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.0 t -40.31 -30.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.415 1.072 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.3 tptt 80.71 11.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.8 34.73 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.95 177.84 16.49 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -74.1 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 0.8 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -67.92 -8.32 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -53.56 6.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.8 t -76.23 -31.21 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.33 -42.74 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.561 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -75.62 -44.11 21.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 47.99 42.44 16.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.226 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.9 mt -67.82 154.49 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.23 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 163.24 24.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -103.55 116.7 32.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.608 1.192 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.09 16.34 5.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 19.4 m-20 -74.41 170.53 15.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 35.7 tt0 -120.59 111.64 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -88.62 149.81 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -141.74 -34.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.642 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -115.06 153.41 30.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.524 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 3.7 p -126.18 155.19 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.414 ' CG ' ' OG1' ' A' ' 91' ' ' THR . 49.4 t0 -66.25 122.64 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.51 -24.43 32.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.1 mtp85 -139.51 118.69 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -78.12 76.0 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 81.6 mt -54.97 -55.7 27.84 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.564 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.8 -8.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 109.275 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 147.71 54.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.612 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 12.2 mt -116.76 174.0 6.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 0.802 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.8 167.69 19.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.506 ' CD ' ' CD1' ' A' ' 27' ' ' ILE . 1.6 mm100 -74.52 -11.37 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.24 -71.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -53.88 53.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.707 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -50.81 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 2.49 -80.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.379 1.049 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.634 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.9 tt0 -52.61 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.522 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.54 20.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.634 ' H ' ' C ' ' A' ' 81' ' ' GLU . 3.3 tpt -121.8 -29.39 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.3 m -89.78 -52.25 5.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -64.33 67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.556 ' OG1' ' CG1' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -83.73 -51.27 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.5 OUTLIER 34.62 58.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.085 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 161.33 -64.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.058 . . . . 0.0 110.039 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 86' ' ' THR . 11.6 p -164.12 152.3 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.556 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -121.22 94.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.542 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 5.4 p -94.36 104.74 16.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.29 167.37 12.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 44.2 tt0 -116.6 111.82 20.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 13' ' ' ILE . 16.8 m -112.03 164.9 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.371 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.1 tt -92.6 110.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.611 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -97.8 145.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.5 ' CG2' HG22 ' A' ' 91' ' ' THR . 16.7 p -132.87 110.31 10.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 51' ' ' ALA . 8.6 p -114.5 125.81 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' LYS . 93.8 m -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 110.409 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -59.13 85.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -67.25 -69.27 0.32 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.381 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -77.21 -7.08 55.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 29.1 mt-30 53.06 41.23 32.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' MET . 5.4 m-20 -105.1 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.255 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 66.55 -65.8 0.17 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.48 ' HE2' ' CG1' ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.48 -65.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . 79.31 79.34 0.82 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 HD23 HG11 ' A' ' 45' ' ' VAL . 7.1 mt -152.45 152.44 31.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.781 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.23 109.23 5.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.539 1.149 . . . . 0.0 109.952 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CD1' ' HE2' ' A' ' 83' ' ' MET . 1.3 pt -121.54 175.38 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.05 142.13 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.616 1.197 . . . . 0.0 109.349 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 76' ' ' GLN . . . -127.27 123.64 36.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.548 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.4 mt -102.05 155.02 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.464 0.743 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 66.4 m-85 -159.12 165.82 32.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.355 1.034 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 15.3 t -103.09 124.63 57.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -80.98 -55.11 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 173.95 173.79 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' A' ' 52' ' ' ASP . 8.2 t -96.99 149.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.058 . . . . 0.0 109.203 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.8 t -65.54 -16.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' HA ' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER 71.51 21.16 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -160.66 61.48 0.29 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -152.75 177.58 30.36 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.466 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -67.71 -64.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.488 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -67.1 -8.2 28.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.556 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.63 -56.25 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 t -81.34 -34.5 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.36 -60.21 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.61 -57.7 18.45 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 56.47 42.85 26.89 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 0.78 . . . . 0.0 110.261 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.16 169.15 15.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.38 171.16 7.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' LYS . . . -94.28 127.59 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.77 8.25 8.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m-20 -75.07 112.1 10.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 95' ' ' ALA . 55.6 tt0 -73.86 116.76 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 3.0 tp -97.64 155.56 16.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HB3' ' C ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -146.29 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.98 160.58 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.095 . . . . 0.0 109.961 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG1' ' HB2' ' A' ' 69' ' ' ARG . 2.2 p -130.81 169.81 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.4 t0 -71.41 131.52 43.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 69' ' ' ARG . . . 76.83 -5.86 44.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.602 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -150.1 116.57 5.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 0.777 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LEU . 58.3 p -86.66 65.13 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.573 ' CG ' ' HB2' ' A' ' 74' ' ' LEU . 7.9 mp -37.31 -55.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.556 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 82.76 -5.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.407 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.428 ' CA ' HD22 ' A' ' 64' ' ' LEU . . . 142.41 54.6 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 16.8 mt -117.53 175.11 5.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 0.785 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.65 168.05 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.523 ' OE1' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -79.61 -10.72 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.56 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -58.53 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.643 1.214 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.694 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -44.61 -81.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.641 1.213 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.08 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.225 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 83' ' ' MET . 6.5 tt0 -42.42 -67.17 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -73.53 14.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.072 . . . . 0.0 109.27 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.591 ' CG ' ' CG2' ' A' ' 66' ' ' VAL . 46.6 ttp -122.63 -7.44 8.57 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.542 1.151 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -103.28 -48.66 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 59.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -85.8 -54.17 4.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.428 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 29.64 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m 175.25 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.929 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.416 ' N ' HG22 ' A' ' 86' ' ' THR . 14.9 p -153.93 154.91 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.513 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -130.39 103.66 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.5 HG22 ' CG2' ' A' ' 14' ' ' THR . 1.5 p -105.18 110.78 23.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -134.2 159.62 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 6.3 tt0 -102.99 111.53 23.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.611 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 5.8 m -117.81 158.49 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CD1' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -88.65 110.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 HG13 ' CG2' ' A' ' 94' ' ' VAL . 1.5 mm -105.52 145.21 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.481 ' CG2' HG22 ' A' ' 91' ' ' THR . 68.6 p -128.43 111.19 13.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -106.18 111.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 7.4 m -101.13 120.25 39.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.605 1.191 . . . . 0.0 110.372 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -40.42 117.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -45.03 5.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -95.15 -4.34 46.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.476 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 91.6 mt-30 55.51 41.51 30.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.265 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.64 44.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.461 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 70.28 -56.87 0.86 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.474 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 167.48 -80.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 110.975 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 82.88 62.18 1.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.503 ' CD2' HG11 ' A' ' 45' ' ' VAL . 3.1 mt -129.62 165.13 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -146.56 116.49 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.003 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.498 HD12 ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -145.59 168.41 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.3 171.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' CB ' ' CG ' ' A' ' 76' ' ' GLN . . . -139.26 127.8 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 1.061 . . . . 0.0 109.184 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.058 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -98.91 146.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 62.4 m-85 -149.31 161.75 41.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.592 1.182 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.476 HG23 ' CG2' ' A' ' 27' ' ' ILE . 42.5 t -102.4 128.58 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 tttt -79.93 -43.19 22.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER 159.46 172.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 5.5 m -93.29 137.49 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.7 t -40.36 -33.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 23.7 tptt 87.98 8.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.37 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.15 36.46 0.65 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -122.57 176.05 16.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -68.71 -67.3 0.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -61.36 -24.72 66.67 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.08 -55.29 30.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.85 -59.32 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -61.22 2.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.86 -51.06 60.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 55.13 45.91 25.07 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.27 165.01 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.11 . . . . 0.0 109.203 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.81 156.05 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -94.38 113.74 25.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.11 23.77 3.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.63 170.99 14.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 36.3 tt0 -119.37 107.71 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.337 1.023 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.57 ' O ' HD11 ' A' ' 64' ' ' LEU . 2.6 tp -88.75 155.18 19.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.787 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -146.48 -37.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.541 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 1.4 p -115.66 163.03 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 9.0 p -131.7 164.25 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 0.0 109.437 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.506 ' CA ' ' O ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -72.88 129.59 38.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 -8.81 74.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.589 1.18 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 66' ' ' VAL . 51.8 mtp85 -150.88 118.93 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.454 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 62.1 m -85.09 75.46 10.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.787 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 4.0 mt -54.62 -60.63 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.88 -5.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.483 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 150.75 52.23 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 13.5 mt -116.15 172.52 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 0.702 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 152.46 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.482 ' OE1' ' CD2' ' A' ' 63' ' ' LEU . 1.6 mm100 -64.68 -11.0 31.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.621 1.201 . . . . 0.0 110.211 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -43.82 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -47.79 -56.29 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.706 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.86 -90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 4.74 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.8 tt0 -51.31 -69.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -54.25 -15.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.529 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 32.0 ttp -97.41 -15.63 20.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.564 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -76.68 -64.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -66.86 66.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.575 ' CG2' ' C ' ' A' ' 89' ' ' VAL . 22.6 m -82.91 -41.92 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 89.55 -64.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 89' ' ' VAL . 17.6 m -175.04 50.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.575 ' C ' ' CG2' ' A' ' 86' ' ' THR . 14.0 p 178.66 92.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.532 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -105.84 93.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.506 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -97.42 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -130.85 162.42 29.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 29.3 tt0 -105.56 112.36 25.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.479 ' CG2' HG13 ' A' ' 13' ' ' ILE . 22.2 m -115.27 168.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 8.1 tt -82.19 116.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.451 HG13 ' CG2' ' A' ' 94' ' ' VAL . 1.4 mm -101.43 143.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.463 ' CB ' HG23 ' A' ' 91' ' ' THR . 0.9 OUTLIER -125.04 122.06 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.646 1.216 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.479 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 12.2 p -117.73 131.12 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 m -105.32 159.52 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -89.71 107.72 19.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.87 -55.6 3.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -76.35 -1.89 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 55.83 35.32 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.548 ' O ' ' C ' ' A' ' 22' ' ' GLY . 1.8 m-20 -100.07 153.0 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.65 -63.12 0.05 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.96 -49.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.51 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 61.11 62.37 5.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 24' ' ' GLY . 2.2 mt -126.0 165.58 18.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.8 m -144.94 114.74 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -132.09 166.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 p -152.8 139.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . . . -125.41 142.69 51.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.599 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.3 mt -99.63 160.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 68.7 m-85 -158.85 152.62 23.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG2' ' OD2' ' A' ' 61' ' ' ASP . 24.8 t -95.49 120.08 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 44' ' ' SER . 15.1 tttt -73.38 -46.02 51.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.594 1.184 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 p 156.13 173.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.7 m -89.27 134.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.51 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.1 t -53.41 -20.37 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HA ' ' OD1' ' A' ' 52' ' ' ASP . 12.6 tptt 74.97 31.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.42 45.27 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.417 1.073 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -144.56 162.69 27.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -62.1 -47.32 85.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -75.13 -29.1 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.75 -51.8 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 t -81.59 -64.06 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -50.61 -62.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.236 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.01 -60.92 6.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.87 44.47 25.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.62 158.38 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 156.35 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.14 113.51 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.6 16.21 6.56 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' OD2' ' CG2' ' A' ' 42' ' ' VAL . 1.5 p30 -80.13 171.88 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' OE1' ' CB ' ' A' ' 95' ' ' ALA . 23.7 tt0 -108.42 109.84 21.22 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD22 ' CG2' ' A' ' 40' ' ' ILE . 2.7 tp -93.86 154.48 17.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -146.95 -36.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.511 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 3.4 m -108.3 146.31 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -120.37 161.25 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.453 ' HB2' ' N ' ' A' ' 91' ' ' THR . 15.4 t70 -70.57 113.94 8.18 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.11 -15.73 33.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.41 1.068 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -150.4 117.48 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' LEU . 57.0 m -75.98 55.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.934 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.587 ' CG ' ' HB2' ' A' ' 74' ' ' LEU . 9.3 mp -33.91 -64.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.399 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 85.76 -11.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.373 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.34 50.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.457 1.098 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 11.5 mt -120.93 172.02 8.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.778 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.4 p -73.95 155.57 38.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 109.941 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.586 HE21 ' N ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -81.5 -5.78 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.586 ' N ' HE21 ' A' ' 76' ' ' GLN . 8.7 mm-40 -46.77 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.18 . . . . 0.0 110.302 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.46 -41.23 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.218 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.583 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -60.11 -75.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.583 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -25.57 -45.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 79' ' ' ALA . 11.5 tt0 -60.37 -79.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 1.4 tm? -49.35 -21.92 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.424 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.581 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -87.31 -22.77 24.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.557 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 9.2 m -64.8 -58.05 7.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.03 58.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 110.404 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.526 ' O ' ' C ' ' A' ' 87' ' ' SER . 1.9 m -87.48 -57.02 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 29.55 77.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.931 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 153.73 -60.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.504 ' C ' ' CG2' ' A' ' 86' ' ' THR . 8.5 p -168.28 131.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.508 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.04 110.79 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.523 ' C ' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -97.9 106.74 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.523 ' CD2' ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.04 144.05 50.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 25.5 tt0 -95.05 123.04 38.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.451 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.1 m -113.28 170.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.04 111.37 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mt -107.9 150.51 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -121.58 129.06 52.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.395 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -116.63 111.71 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.387 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.408 ' CG2' HG11 ' A' ' 89' ' ' VAL . 28.4 m -86.46 144.59 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 97.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -81.6 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.058 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -4.56 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.342 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 56.32 34.57 24.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.545 ' O ' ' C ' ' A' ' 22' ' ' GLY . 1.1 t-20 -111.24 162.33 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.61 -66.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 157.71 -44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 0.704 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 61.04 66.17 2.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -123.69 155.76 37.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.6 t -140.4 109.95 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CD1' ' HE3' ' A' ' 83' ' ' MET . 0.2 OUTLIER -129.08 169.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.413 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 2.0 p -151.59 143.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.221 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' CB ' ' H ' ' A' ' 76' ' ' GLN . . . -126.48 141.05 52.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.569 ' HB ' ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -100.71 156.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.595 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -151.72 172.13 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.094 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.2 t -119.3 118.0 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -72.95 -47.27 46.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 t 154.17 173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.081 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 ' N ' ' OG ' ' A' ' 44' ' ' SER . 12.8 m -81.09 157.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.388 1.055 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 60.0 t -81.14 4.57 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 18.5 pttt 49.05 44.25 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -178.43 42.93 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.491 ' HA3' ' C ' ' A' ' 23' ' ' MET . . . -146.21 166.9 27.99 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.68 -59.31 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.476 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -65.25 -28.22 69.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.62 -52.85 63.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 t -80.66 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -52.49 -64.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.394 1.059 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' ALA . . . -50.32 -56.29 13.33 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.396 1.06 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 55.21 45.96 24.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 0.811 . . . . 0.0 110.354 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 mt -69.55 148.67 49.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.57 154.01 21.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.42 115.44 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.595 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 117.71 42.82 0.6 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.1 m-20 -106.76 116.3 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 95' ' ' ALA . 3.1 tt0 -74.63 115.85 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.1 tp -99.44 152.12 20.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -137.45 -40.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.422 1.076 . . . . 0.0 109.355 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.521 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -109.03 155.54 20.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.638 ' CG2' ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -125.86 158.08 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.495 ' CA ' ' O ' ' A' ' 91' ' ' THR . 61.4 t0 -70.37 115.46 9.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.687 1.242 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.48 -19.14 34.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -151.12 115.57 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 110.258 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.548 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 45.0 p -78.29 74.1 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.648 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.43 -51.56 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.415 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.648 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.56 -5.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.507 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 148.9 53.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.415 1.072 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 9.2 mt -121.23 173.25 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 p -71.92 156.56 39.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.595 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.4 pt20 -82.49 -14.17 55.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.629 1.206 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -38.27 -57.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -56.64 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.572 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -47.71 -69.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.62 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -27.03 -63.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.84 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.546 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 1.2 tm? -61.09 -12.11 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.638 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -96.06 -16.15 21.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.62 ' N ' ' O ' ' A' ' 80' ' ' ALA . 24.8 m -78.99 -57.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.67 61.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -83.98 -55.76 4.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.434 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 m 67.2 -60.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' THR . 4.7 m -78.8 -91.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 86' ' ' THR . 1.0 OUTLIER -125.88 170.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.503 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.32 105.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.495 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 1.2 p -97.93 106.76 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.505 ' CD2' ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.98 151.84 51.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.412 1.07 . . . . 0.0 109.203 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.3 tt0 -98.7 116.52 31.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.1 m -119.67 165.88 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.2 tt -90.25 111.95 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.483 HG13 ' CG2' ' A' ' 94' ' ' VAL . 2.5 mm -98.25 145.89 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -125.42 122.13 35.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.517 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -112.22 114.2 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -88.14 148.25 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -83.35 95.46 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -78.95 -63.63 1.37 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.586 1.178 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -78.12 -4.35 46.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.41 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 0.4 OUTLIER 52.58 41.19 31.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 49.3 t-20 -91.14 37.62 0.94 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 77.13 -53.45 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.467 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 166.74 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.549 0.793 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 88.15 45.32 5.09 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' CD2' HG13 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -114.32 162.68 16.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -144.81 118.98 9.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.621 1.201 . . . . 0.0 109.95 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.494 HD11 ' CE ' ' A' ' 83' ' ' MET . 0.4 OUTLIER -134.73 172.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' ILE . 33.9 t -150.24 156.02 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 76' ' ' GLN . . . -136.26 132.83 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.22 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.537 ' HB ' ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -102.24 156.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 0.775 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 61.5 m-85 -155.17 169.69 23.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' GLY . 54.2 t -110.81 121.46 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.665 1.228 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 tttm -74.18 -44.93 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.6 t 156.04 174.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 18.8 m -93.67 135.34 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.647 1.217 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.3 t -39.79 -30.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.635 1.21 . . . . 0.0 109.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 tptp 83.42 10.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -154.44 38.97 0.66 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -124.25 176.24 16.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.626 0.839 . . . . 0.0 111.045 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.21 -65.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.517 ' CB ' ' CG1' ' A' ' 15' ' ' VAL . . . -69.09 -6.6 29.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.79 -52.09 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.396 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.3 -31.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.201 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -81.51 -52.38 7.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -61.27 -54.07 39.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.07 44.89 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.0 mt -70.87 161.16 31.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.374 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.66 158.55 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 44' ' ' SER . . . -104.55 110.2 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.37 22.07 4.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.434 1.083 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -74.3 169.81 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 21.8 tt0 -113.78 112.13 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.06 151.99 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.575 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.3 -35.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.528 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -114.9 163.55 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.057 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.598 ' CG2' ' HB3' ' A' ' 79' ' ' ALA . 1.3 t -133.37 160.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 48.1 t0 -60.78 128.62 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -31.9 5.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 66' ' ' VAL . 1.7 mtt-85 -137.71 112.56 8.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.629 ' O ' ' C ' ' A' ' 71' ' ' LEU . 88.7 p -78.24 50.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -20.62 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 89.11 -7.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.521 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 150.69 52.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.439 1.087 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.527 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 18.6 mt -114.31 173.3 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.78 155.81 38.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -65.58 -9.27 25.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -44.38 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -39.69 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.215 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.64 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -59.68 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.64 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -15.14 -69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.3 tt0 -42.03 -69.3 0.14 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.12 7.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.584 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 8.8 ttp -112.35 -7.57 13.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.5 m -103.34 -53.33 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -64.86 64.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.609 1.193 . . . . 0.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -83.74 -54.14 5.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t 67.31 -58.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.97 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.09 -77.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.476 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.9 OUTLIER -140.67 158.72 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.529 HG11 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.52 109.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.525 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 2.2 p -108.31 105.4 15.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.463 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.525 ' CD1' ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -126.3 153.7 44.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.219 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.491 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 0.0 OUTLIER -96.41 113.99 25.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 13' ' ' ILE . 9.2 m -120.42 167.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 tt -89.06 111.04 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.223 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.509 HG13 ' CG2' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -99.86 140.66 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.478 ' CG2' HG22 ' A' ' 91' ' ' THR . 3.0 m -118.73 109.19 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -105.76 108.71 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.405 ' OG1' ' CG1' ' A' ' 89' ' ' VAL . 1.1 m -94.92 155.32 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.498 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -96.24 109.06 21.6 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -48.61 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 0.0 109.401 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -88.1 -5.35 58.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.216 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 52.59 39.25 27.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 17.8 t-20 -87.26 48.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 70.1 -54.52 0.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.413 1.07 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 158.92 -70.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 0.808 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 78.28 66.96 1.68 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -132.94 160.54 36.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 109.347 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.1 t -142.64 122.37 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.537 ' CD1' ' CE ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.44 169.38 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -151.67 131.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . . . -113.38 141.81 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.565 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -95.03 149.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 0.799 . . . . 0.0 109.274 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 55.5 m-85 -147.4 170.19 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 1.199 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 54.2 t -106.7 121.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 44' ' ' SER . 16.9 tptm -73.59 -44.71 56.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 157.1 173.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 11.6 m -94.47 136.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 3.4 t -42.98 -28.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 82.71 7.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -150.96 35.42 0.91 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.85 170.69 13.91 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -71.6 -53.06 14.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 109.38 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -77.51 -8.48 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -52.5 7.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.8 t -81.04 -33.19 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 55.8 t0 -79.01 -51.5 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -65.81 -48.25 68.36 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 55.46 45.23 25.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.382 0.696 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.433 HD22 ' CG2' ' A' ' 13' ' ' ILE . 56.7 mt -69.38 151.92 45.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 61' ' ' ASP . . . -81.65 146.96 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.45 116.65 27.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.46 16.23 5.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 26.7 m-20 -73.51 167.44 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 0.83 . . . . 0.0 109.268 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -117.77 106.75 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -82.66 153.46 25.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.784 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 64.1 mt -144.11 -39.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.58 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -119.51 168.39 11.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.572 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 9.8 p -131.36 169.29 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.511 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.6 p-10 -70.78 128.77 37.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.205 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.08 -11.51 42.33 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.472 1.108 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 41.5 mtp180 -151.49 105.08 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.425 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 15.4 m -78.13 80.53 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.784 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 64.5 mt -45.42 -50.91 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 81.85 -7.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.492 ' CA ' HD23 ' A' ' 64' ' ' LEU . . . 140.72 48.69 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 30.7 mt -110.4 176.3 5.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 109.244 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.1 m -71.02 150.13 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -68.04 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.6 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -47.71 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.703 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -46.38 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.31 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.7 tt0 -42.14 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -72.63 12.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.572 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 55.6 ttp -117.79 -14.13 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.6 m -96.39 -58.59 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -67.13 54.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.53 ' HB ' ' CG1' ' A' ' 90' ' ' VAL . 13.4 m -88.93 -53.14 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.35 -73.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -50.07 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.915 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 86' ' ' THR . 1.5 m -137.79 139.67 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.53 ' CG1' ' HB ' ' A' ' 86' ' ' THR . 3.7 m -103.89 102.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.544 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 3.0 p -102.15 104.59 15.2 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -119.12 164.07 16.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.176 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.2 tt0 -108.76 107.86 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG2' HG13 ' A' ' 13' ' ' ILE . 23.1 m -127.87 161.51 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.637 1.211 . . . . 0.0 109.265 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.912 0 CA-C-O 118.726 -1.041 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.63 169.08 23.19 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.133 2.556 . . . . 0.0 111.088 173.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 pp -149.65 143.83 25.76 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.281 1.032 . . . . 0.0 108.654 167.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.21 -122.97 0.22 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.215 0.912 . . . . 0.0 113.551 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -155.19 -62.44 0.12 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.984 -0.715 . . . . 0.0 109.762 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -166.18 126.71 1.72 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.996 1.718 . . . . 0.0 108.731 175.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -161.18 156.28 24.06 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.141 1.376 . . . . 0.0 108.124 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -89.81 67.43 7.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.185 0.517 . . . . 0.0 110.216 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -147.39 165.67 18.23 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.904 0.882 . . . . 0.0 111.719 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.56 119.85 5.36 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.137 2.558 . . . . 0.0 110.484 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -166.75 174.13 8.93 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 122.364 1.078 . . . . 0.0 110.912 -165.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.45 135.83 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.604 157.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mt -132.44 146.44 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -134.47 143.3 47.42 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.812 -1.18 . . . . 0.0 110.96 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.02 95.36 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 122.07 0.938 . . . . 0.0 109.399 -161.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -75.95 154.15 36.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.335 1.454 . . . . 0.0 112.869 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.13 49.52 1.11 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.998 1.319 . . . . 0.0 112.014 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -36.36 -36.8 0.11 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 128.326 2.65 . . . . 0.0 116.714 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 14.4 ttmt -132.78 23.71 4.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.324 1.85 . . . . 0.0 112.564 -175.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 52.24 -13.04 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 129.934 3.294 . . . . 0.0 119.833 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.05 46.35 0.1 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.83 2.452 . . . . 0.0 114.565 -174.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 179.92 2.64 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.756 -1.215 . . . . 0.0 112.665 -164.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' S18' ' A' ' 102' ' ' STF . 1.8 mtp -71.43 -49.47 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.62 -1.517 . . . . 0.0 111.703 174.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 61.01 5.23 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.472 0.558 . . . . 0.0 112.281 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.07 172.2 12.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.71 1.204 . . . . 0.0 110.082 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -140.86 124.17 16.66 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 120.006 -1.683 . . . . 0.0 109.315 -176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.32 152.49 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.986 1.314 . . . . 0.0 110.18 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.1 t -136.39 127.56 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.336 1.454 . . . . 0.0 107.928 173.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.96 164.02 13.08 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 122.177 0.989 . . . . 0.0 111.066 165.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.15 170.56 9.44 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.492 1.117 . . . . 0.0 109.504 164.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -128.73 169.88 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 125.287 1.435 . . . . 0.0 110.211 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.65 49.76 4.29 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.225 0.917 . . . . 0.0 112.115 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.93 131.46 15.79 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.089 0.956 . . . . 0.0 111.362 -171.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.03 -35.92 0.76 Allowed Glycine 0 N--CA 1.476 1.349 0 C-N-CA 124.922 1.249 . . . . 0.0 114.511 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -131.1 156.31 45.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.812 1.645 . . . . 0.0 109.221 156.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -75.92 11.12 1.52 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 128.869 2.868 . . . . 0.0 116.387 -167.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -100.52 -45.25 5.6 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -143.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.3 tp 54.02 175.01 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 125.071 1.348 . . . . 0.0 113.611 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.08 -178.15 16.46 Favored Glycine 0 N--CA 1.475 1.253 0 O-C-N 120.52 -1.362 . . . . 0.0 114.343 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mt -147.48 149.14 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.145 1.378 . . . . 0.0 108.906 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -145.88 137.09 24.75 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.567 1.147 . . . . 0.0 111.27 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.07 99.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.373 1.069 . . . . 0.0 108.364 162.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.3 -38.85 92.51 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.72 -0.613 . . . . 0.0 111.382 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.3 p -172.25 173.51 4.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.106 0.963 . . . . 0.0 112.769 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.8 m -74.72 166.86 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.379 148.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.18 13.15 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 120.162 1.346 . . . . 0.0 112.717 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 58.24 35.52 25.01 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.022 -1.049 . . . . 0.0 111.727 168.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.68 36.05 0.04 OUTLIER Glycine 0 CA--C 1.54 1.646 0 N-CA-C 116.671 1.428 . . . . 0.0 116.671 -172.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -147.89 167.83 28.79 Favored Glycine 0 N--CA 1.476 1.348 0 CA-C-N 119.946 1.873 . . . . 0.0 113.982 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HB2' ' H ' ' A' ' 19' ' ' LYS . . . -68.01 -38.58 82.77 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.214 -1.168 . . . . 0.0 113.518 -173.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.01 -26.43 33.85 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.614 0.766 . . . . 0.0 111.983 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -60.6 3.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.254 1.021 . . . . 0.0 111.718 164.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.67 -30.37 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -120.69 -12.55 8.85 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.35 -34.12 8.9 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 121.508 -0.745 . . . . 0.0 113.62 166.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtm-85 47.83 43.54 17.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.479 1.512 . . . . 0.0 113.317 171.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.15 153.91 17.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.725 1.21 . . . . 0.0 111.804 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.8 143.77 26.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.635 1.207 . . . . 0.0 111.746 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 125.51 23.04 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.414 -0.804 . . . . 0.0 109.629 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 -4.21 48.15 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.536 1.541 . . . . 0.0 116.07 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.36 112.13 2.3 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.656 1.728 . . . . 0.0 111.71 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.82 94.37 2.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.899 1.28 . . . . 0.0 111.064 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.25 143.77 55.14 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.307 1.843 . . . . 0.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -133.3 -37.15 0.97 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.979 1.712 . . . . 0.0 112.993 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -136.89 166.18 24.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.817 1.247 . . . . 0.0 112.072 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.23 158.45 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.406 1.482 . . . . 0.0 111.133 -164.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -51.87 132.35 31.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.933 0.873 . . . . 0.0 112.459 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.57 -2.87 0.71 Allowed Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -173.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -141.82 94.31 2.66 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.275 2.037 . . . . 0.0 112.122 -172.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -62.81 65.47 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.612 2.365 . . . . 0.0 114.363 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.95 -27.89 69.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.277 21.4 m 45.8 -1.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 130.063 3.345 . . . . 0.0 118.406 -167.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.68 38.48 0.02 OUTLIER Glycine 0 CA--C 1.539 1.552 0 CA-C-N 120.075 1.307 . . . . 0.0 116.025 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.62 149.9 48.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.938 1.869 . . . . 0.0 113.276 -172.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -67.02 155.79 37.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -161.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -57.43 -26.95 61.94 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -168.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -59.53 -13.95 11.08 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -122.2 22.09 10.26 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.755 0.822 . . . . 0.0 111.966 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.24 -50.85 0.22 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.07 69.17 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.397 -1.44 . . . . 0.0 113.065 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -54.53 -34.42 61.74 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 113.779 167.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.1 -55.34 4.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.05 0.94 . . . . 0.0 109.747 170.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.4 mtm -51.56 -34.76 38.2 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.7 m -64.3 -32.13 73.61 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.283 -0.886 . . . . 0.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -83.51 -9.91 58.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 m -30.48 -51.48 0.15 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 128.12 2.568 . . . . 0.0 116.761 -172.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 58.61 -17.62 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.6 p -143.18 -40.82 0.31 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -165.38 127.66 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 119.957 1.253 . . . . 0.0 110.806 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 117.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 165.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.8 p -74.84 144.08 43.61 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.174 -0.954 . . . . 0.0 108.953 148.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.5 mt -145.19 169.17 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.573 2.349 . . . . 0.0 108.57 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -136.67 129.42 30.63 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.481 1.112 . . . . 0.0 108.157 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.2 m -142.8 165.11 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.865 0.866 . . . . 0.0 112.933 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.49 111.82 8.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.115 1.366 . . . . 0.0 112.05 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -56.6 109.6 0.65 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.941 0.896 . . . . 0.0 112.507 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -131.21 162.42 30.01 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.365 1.466 . . . . 0.0 109.75 165.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.84 -170.1 3.06 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 115.106 0.802 . . . . 0.0 115.106 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.22 -177.32 5.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.445 1.498 . . . . 0.0 110.105 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.23 -54.22 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 164.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 C--O 1.254 1.33 0 C-N-CA 128.754 2.821 . . . . 0.0 108.134 165.219 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' STF . . . . . 0.431 ' S18' ' SD ' ' A' ' 23' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -178.32 4.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pp -167.98 117.65 0.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -141.62 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.29 -57.06 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.906 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.22 123.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.25 143.01 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 82.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -163.95 158.61 16.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 128.45 11.55 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 176.15 -174.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 18.7 tt -79.06 125.97 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 HG13 ' CG2' ' A' ' 94' ' ' VAL . 2.4 mm -114.16 149.3 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 t -128.86 125.81 38.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 1.6 t -111.46 134.86 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -108.41 154.49 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -94.35 107.3 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -89.8 -57.6 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -75.22 -1.3 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.3 33.87 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.497 ' O ' ' C ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -95.45 158.04 15.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -29.24 -61.9 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 162.92 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.519 0.776 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.09 49.27 22.39 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.18 159.11 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.4 m -145.37 108.86 4.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.513 ' CD1' ' HE2' ' A' ' 83' ' ' MET . 0.5 OUTLIER -131.59 175.2 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 75.2 t -149.87 167.76 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' N ' ' CG1' ' A' ' 28' ' ' VAL . . . -150.76 116.76 5.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -163.83 158.6 20.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 135.55 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.398 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.02 -44.63 1.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.64 109.97 15.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.89 -78.5 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 37' ' ' LYS . 3.9 tp60 -87.89 90.8 8.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.65 -30.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -100.14 65.62 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.62 105.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.21 140.75 11.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG21 ' CD2' ' A' ' 63' ' ' LEU . 1.6 mt -94.85 150.54 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.382 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.576 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -145.33 164.81 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.94 118.8 59.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.2 ttmt -74.09 -48.46 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 3.1 p 156.69 173.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 47' ' ' LYS . 19.3 m -89.56 128.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -39.49 -31.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 8.8 tptt 86.51 27.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.369 1.043 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -162.43 45.6 0.35 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.67 164.09 27.12 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -63.13 -58.72 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -68.91 -15.32 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -71.41 -51.78 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -80.21 -49.5 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 31.7 t70 -60.98 -50.57 72.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -63.39 -54.75 29.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 55.91 45.02 24.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.257 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 mt -69.41 148.39 49.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.37 161.16 22.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.15 119.26 31.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 109.05 43.66 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -103.81 120.77 41.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 95' ' ' ALA . 4.6 tt0 -74.0 109.68 7.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.516 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 3.9 tp -94.76 155.91 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -147.72 -37.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.09 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.513 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 1.4 p -105.83 149.43 26.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.631 ' CG2' ' HG3' ' A' ' 83' ' ' MET . 0.8 OUTLIER -122.66 154.58 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.49 ' CA ' ' O ' ' A' ' 91' ' ' THR . 28.1 t0 -69.98 109.56 4.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.41 -23.54 7.99 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -151.11 125.33 9.35 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.617 0.834 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.505 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 19.3 m -75.49 76.17 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CG ' ' HB2' ' A' ' 74' ' ' LEU . 8.5 mp -54.71 -56.05 23.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.01 -6.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.426 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 148.15 55.9 0.02 OUTLIER Glycine 0 CA--C 1.527 0.841 0 O-C-N 124.554 1.159 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.603 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 12.5 mt -118.77 174.52 6.23 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.371 0.689 . . . . 0.0 109.198 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.46 160.24 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.478 ' CG ' ' HB1' ' A' ' 29' ' ' ALA . 6.0 mm100 -84.71 -16.38 41.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -39.04 -63.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -49.87 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.61 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -48.75 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -22.48 -67.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -41.29 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -56.21 -16.86 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.631 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.7 -3.65 35.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 111.056 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' ' O ' ' A' ' 80' ' ' ALA . 85.6 m -87.07 -57.72 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.375 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -67.37 59.41 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 110.158 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 87' ' ' SER . 1.4 m -87.45 -56.89 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 1.051 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 26.32 74.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.929 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 153.71 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.482 ' C ' HG21 ' A' ' 86' ' ' THR . 4.4 p -157.73 136.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -117.68 99.53 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.5 ' C ' HD22 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -93.18 107.82 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.542 ' CD2' ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.22 152.41 51.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.513 ' CB ' ' OG ' ' A' ' 65' ' ' SER . 17.1 tt0 -99.35 127.48 45.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.232 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.4 m -126.43 167.74 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -138.86 126.41 21.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -47.19 150.49 0.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 1.2 mt-30 166.84 152.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 50.38 -142.32 15.01 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.551 1.157 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.27 -176.63 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.6 mt -48.41 -74.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 170.76 19.7 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.513 1.796 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -153.12 -179.15 7.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.95 119.91 2.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.102 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -105.21 -79.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.56 -164.53 1.84 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -69.3 178.04 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.465 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 132.93 2.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -176.93 157.3 1.36 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 127.32 10.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.537 1.809 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -178.62 -149.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.02 118.93 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.567 ' CG1' ' CG2' ' A' ' 94' ' ' VAL . 14.1 mm -108.48 156.86 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 t -136.73 139.08 41.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.492 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -127.29 108.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.629 1.206 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.457 ' CA ' HG22 ' A' ' 89' ' ' VAL . 18.9 m -88.26 153.34 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -87.89 92.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -76.86 -62.22 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.62 -3.55 56.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 27.5 mt-30 52.19 41.52 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -91.35 36.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 80.91 -58.11 4.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.557 1.16 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.465 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 165.41 -76.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' C ' ' OD1' ' A' ' 52' ' ' ASP . . . 99.65 -8.61 60.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.391 1.057 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' CD2' HG13 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -63.36 155.11 29.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.743 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -143.81 106.36 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 109.972 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.485 HD12 ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -126.26 167.57 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 56.0 t -150.83 161.7 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . . . -132.91 146.84 52.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -113.61 144.18 43.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -150.24 109.91 4.05 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.93 -58.89 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LYS . . . -74.43 138.66 43.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.465 0.744 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.71 -65.3 2.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.1 tt0 -121.17 91.0 3.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -38.03 -31.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -95.7 104.12 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 9.8 tp -39.43 142.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.48 137.49 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -102.88 147.72 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.243 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -148.22 158.33 44.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 73.9 t -97.04 123.95 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' SER . 5.1 tttm -74.01 -63.51 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 34.9 p 177.44 176.21 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.488 HG13 ' CD2' ' A' ' 25' ' ' LEU . 12.6 m -101.38 127.56 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 2.4 t -41.2 -28.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 9.3 tptt 74.22 32.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.33 28.33 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 52' ' ' ASP . . . -120.34 177.95 16.42 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 20' ' ' GLN . . . -69.09 -66.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 0.762 . . . . 0.0 109.208 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.492 ' CB ' ' CG1' ' A' ' 15' ' ' VAL . . . -71.87 -4.47 28.24 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' N ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -79.8 -51.73 8.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -80.35 -32.77 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -79.79 -56.2 4.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.36 -56.98 16.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.94 43.37 30.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD2' HG23 ' A' ' 13' ' ' ILE . 10.1 mt -71.27 169.91 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.81 148.97 23.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.64 116.1 28.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 115.79 22.09 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -74.77 170.8 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.523 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 12.4 tt0 -120.67 109.17 14.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 2.3 tp -85.34 155.54 21.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.861 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 4.0 mm? -140.57 -43.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.553 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.21 168.1 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.541 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 7.2 p -126.76 167.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.526 ' CA ' ' O ' ' A' ' 91' ' ' THR . 48.0 t0 -70.19 131.13 43.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.32 -12.42 45.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 19.3 mtp85 -150.47 111.01 4.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.791 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.414 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 71.3 m -81.13 85.93 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.861 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 2.2 mt -57.39 -53.07 62.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.687 1.242 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.615 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.14 -5.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.572 ' CA ' HD12 ' A' ' 64' ' ' LEU . . . 144.76 47.25 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 17.2 mt -108.49 173.2 6.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 0.799 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.57 149.66 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.085 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.7 pm0 -65.47 -12.44 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.21 -66.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.699 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -45.13 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.66 -84.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' A' ' 83' ' ' MET . 16.4 tt0 -45.81 -65.75 0.5 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.538 1.149 . . . . 0.0 110.196 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.627 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -71.15 11.34 0.43 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.552 ' H ' ' C ' ' A' ' 81' ' ' GLU . 48.1 ttp -117.82 -18.83 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.9 m -87.96 -53.34 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.97 59.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.566 ' CB ' HG12 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.87 -56.87 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.0 m 66.28 -59.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.155 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -73.13 -81.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.918 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.457 HG22 ' CA ' ' A' ' 16' ' ' THR . 13.1 p -144.92 155.16 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -115.05 92.23 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.526 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 5.7 p -94.27 109.02 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.432 1.082 . . . . 0.0 110.352 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -129.48 157.08 42.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.422 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.567 ' CG2' ' CG1' ' A' ' 13' ' ' ILE . 16.5 m -117.09 164.0 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.94 127.36 19.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.11 92.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.74 113.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.92 171.1 12.06 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -174.97 143.02 0.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.607 0.828 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.61 175.36 9.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.455 1.097 . . . . 0.0 109.433 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.323 -0.585 0 O-C-N 124.52 1.137 . . . . 0.0 110.944 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.33 10.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.93 157.86 39.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.48 -101.98 0.5 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.23 89.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 53.41 -178.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.6 175.4 8.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -156.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 1.5 mt-10 176.03 -57.11 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.597 1.186 . . . . 0.0 110.192 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.6 Cg_endo -74.95 128.38 11.48 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.504 1.791 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -125.43 122.07 35.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 tt -89.35 113.63 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.5 mt -112.41 149.3 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.505 ' CG2' HG22 ' A' ' 91' ' ' THR . 59.6 p -123.54 110.8 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG1' HG23 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -96.16 114.9 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.7 m -93.47 161.8 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -97.36 105.66 17.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -56.28 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -75.54 -2.4 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 55.52 34.61 23.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.358 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.503 ' O ' ' C ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -98.44 159.11 15.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -28.21 -61.95 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.58 -56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 69.83 57.35 7.21 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.428 1.08 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -121.19 162.12 20.7 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.412 0.713 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t -145.69 115.42 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.511 ' CD1' ' HE3' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.15 170.71 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 p -152.7 150.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.492 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . . . -124.72 145.77 49.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.96 145.73 44.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.76 142.97 28.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.55 -162.29 19.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.35 169.77 18.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.28 -68.47 2.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.587 1.179 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -133.45 62.05 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.297 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.65 138.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -118.96 -87.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -142.44 123.41 14.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.213 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.19 113.67 1.21 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -101.57 148.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 61.8 m-85 -150.2 165.54 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.02 121.54 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.2 OUTLIER -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.389 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.9 p 157.05 174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.496 HG12 ' CD2' ' A' ' 25' ' ' LEU . 21.1 m -92.43 127.4 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.504 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 18.2 t -41.45 -33.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 2.9 tptt 86.84 22.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.9 49.06 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -145.81 166.74 27.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.56 -56.27 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -68.48 -24.23 64.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.397 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -61.76 -52.67 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -80.98 -56.34 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.68 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.47 -57.2 10.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 55.42 45.13 25.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 110.188 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.5 mt -69.75 159.52 33.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.96 146.32 28.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.558 1.161 . . . . 0.0 109.201 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.82 114.82 26.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.0 18.25 4.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 32.8 m-20 -73.93 171.32 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 51.6 tt0 -120.92 107.42 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 2.0 tp -86.78 154.16 21.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -143.85 -42.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.484 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -116.08 167.17 11.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.565 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 10.9 p -129.15 165.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.424 1.077 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.539 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.1 p-10 -71.13 127.35 32.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 69' ' ' ARG . . . 88.69 -16.21 54.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.519 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -145.4 117.42 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -85.06 82.46 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.626 1.204 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.831 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 1.7 mt -58.47 -53.52 57.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.651 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.18 -6.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.408 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.406 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 144.44 55.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.617 1.198 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.56 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 24.5 mt -116.95 173.81 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 8.8 m -71.73 147.39 47.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -66.25 -9.98 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.631 1.207 . . . . 0.0 110.354 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.424 ' N ' HE21 ' A' ' 76' ' ' GLN . 50.0 mt-10 -43.36 -76.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -50.52 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.7 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -45.96 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.7 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -0.41 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.546 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.6 tt0 -42.88 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -71.36 12.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.565 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 59.6 ttp -120.76 -14.32 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.075 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 80' ' ' ALA . 2.2 m -91.23 -52.32 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -67.77 53.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.213 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.555 HG22 ' CA ' ' A' ' 90' ' ' VAL . 1.8 m -89.62 -55.46 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.455 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER 31.46 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 152.81 -51.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.052 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 86' ' ' THR . 0.3 OUTLIER -177.24 122.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.555 ' CA ' HG22 ' A' ' 86' ' ' THR . 0.0 OUTLIER -113.77 101.48 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.539 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 20.1 p -95.95 112.72 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.13 153.76 44.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' CB ' ' OG ' ' A' ' 65' ' ' SER . 4.6 tt0 -96.49 107.7 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 26.2 m -113.36 163.7 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -138.74 133.09 31.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 136.65 47.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -159.35 -67.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.63 114.25 3.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -170.16 168.95 8.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 0.735 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 tt -170.82 158.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.419 1.074 . . . . 0.0 109.199 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 161.05 39.65 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.94 127.48 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.24 145.6 16.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.665 1.228 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 179.25 162.22 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.968 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp 71.71 150.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.95 126.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 110.315 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -146.06 156.22 43.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.391 1.057 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER 166.95 174.3 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CA ' ' HB3' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.02 130.92 13.7 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -147.1 168.21 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 tt -90.36 108.95 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.439 ' CG1' HG23 ' A' ' 94' ' ' VAL . 2.6 mm -94.26 151.25 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.458 ' CB ' HG22 ' A' ' 91' ' ' THR . 3.5 t -138.56 117.09 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -112.05 148.72 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -125.32 148.4 48.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.2 101.94 6.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.63 -50.89 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -5.04 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 54.0 40.07 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.52 36.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.137 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 76.95 -53.28 3.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.408 1.067 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.479 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 165.65 -79.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.054 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 86.32 57.65 2.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -124.46 166.48 15.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -148.04 121.37 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.078 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.5 ' CD1' ' HE2' ' A' ' 83' ' ' MET . 0.5 OUTLIER -139.19 174.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.215 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 1.2 p -152.22 170.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.89 146.29 33.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -122.24 150.91 41.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 109.385 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 120.37 10.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.41 94.69 0.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -144.72 163.52 33.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 0.0 109.235 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.71 50.75 4.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -176.71 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 0.773 . . . . 0.0 110.272 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.29 137.42 12.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' LEU . 17.8 mtmt -91.19 36.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 1.5 mt 168.76 120.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.075 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -153.37 120.8 1.08 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.573 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -107.08 147.22 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 55.2 m-85 -149.62 165.3 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 15.5 t -104.24 124.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 ttmm -73.87 -43.13 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.8 t 152.19 175.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 18.8 m -87.56 131.75 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.491 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 13.7 t -45.94 -25.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 77.4 101.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.53 12.6 11.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -95.16 174.62 32.72 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.01 -58.03 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 0.818 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -76.41 -9.17 58.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.0 -53.69 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.422 ' CG2' ' OD2' ' A' ' 52' ' ' ASP . 99.4 t -75.89 -33.64 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -78.72 -48.77 14.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.59 -49.68 35.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.4 1.062 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 55.45 45.44 25.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 0.769 . . . . 0.0 110.267 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.99 163.73 23.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.344 1.027 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.25 162.96 12.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 109.261 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.74 122.34 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.447 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.52 6.17 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.408 1.068 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -73.73 114.93 12.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.635 0.844 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 10.6 tt0 -74.17 110.11 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.361 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.504 HD21 ' CG2' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -88.8 153.59 20.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.3 mt -143.62 -40.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 70' ' ' SER . 4.3 m -119.64 168.9 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.622 ' CG2' ' CD1' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -121.26 -175.24 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.443 1.09 . . . . 0.0 109.427 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 91' ' ' THR . 63.1 t0 -65.33 113.64 4.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.96 13.42 8.48 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -129.71 72.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.362 0.683 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 2.5 p -63.05 115.37 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.622 ' CD1' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -104.11 -33.49 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.594 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.23 -6.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.479 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 140.33 59.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.382 1.051 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 57.1 mt -108.42 172.81 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.756 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.431 ' N ' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.57 163.63 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.031 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -69.01 -12.11 61.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.04 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -51.03 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -51.16 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -8.19 -77.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.539 ' C ' ' H ' ' A' ' 83' ' ' MET . 18.0 tt0 -39.95 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -71.64 12.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.54 ' CG ' ' CG1' ' A' ' 66' ' ' VAL . 20.2 ttp -119.21 -6.17 10.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.0 m -106.64 -49.5 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -64.13 60.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.387 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.573 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -84.23 -52.88 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.1 m 34.59 57.86 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 159.17 -68.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.432 ' N ' HG23 ' A' ' 86' ' ' THR . 3.3 m -149.13 149.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.544 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -119.51 101.93 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.608 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -101.79 136.41 41.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.559 ' CD2' ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -162.67 154.6 18.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 20.3 tt0 -95.54 109.41 21.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 19.1 m -120.53 170.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.472 ' HB3' ' CA ' ' A' ' 10' ' ' PRO . . . -138.07 114.69 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -70.88 109.19 4.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 179.46 85.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.68 -164.51 35.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.53 -51.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.319 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -170.86 118.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -37.92 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 pp -90.52 124.77 35.28 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.392 1.057 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.52 107.27 0.67 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.97 117.36 30.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 110.009 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 tp -174.18 -73.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? 46.41 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 86.33 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -53.16 -51.22 77.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.244 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.4 Cg_endo -75.06 172.18 16.87 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -165.19 157.53 15.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.56 129.28 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 1.4 mt -119.28 150.09 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.594 1.184 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.493 ' CG2' HG21 ' A' ' 91' ' ' THR . 10.0 p -127.42 115.99 19.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.388 1.055 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.2 106.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -87.07 159.87 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -92.25 105.01 17.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -86.76 -52.84 5.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -95.44 -3.23 47.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 4.0 mt-30 52.2 41.04 30.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 57.3 t-20 -96.84 55.97 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 68.08 -72.72 0.29 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.481 ' CE ' ' CG1' ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.37 -63.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 96.13 -14.07 65.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -57.9 152.35 16.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 m -144.85 108.94 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.489 HD11 ' CE ' ' A' ' 83' ' ' MET . 0.6 OUTLIER -126.97 170.22 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.41 156.62 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.307 1.004 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 76' ' ' GLN . . . -125.8 136.84 53.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -112.53 87.41 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.18 140.15 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.36 94.04 0.02 OUTLIER Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.591 1.182 . . . . 0.0 110.97 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.13 118.25 6.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.552 0.795 . . . . 0.0 109.238 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.35 -80.06 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.415 1.072 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -128.68 56.9 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 64.73 114.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.054 . . . . 0.0 109.273 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 -178.49 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER 177.31 94.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.379 1.05 . . . . 0.0 109.237 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -138.52 122.82 2.47 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.533 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -100.03 141.73 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -147.62 163.28 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -100.62 123.19 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -75.13 -48.6 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.6 p 158.28 178.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.55 ' CG1' ' HB2' ' A' ' 52' ' ' ASP . 19.1 t -100.19 144.02 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.646 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -58.87 -44.08 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 12.8 tptt 99.93 20.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.61 43.04 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -133.75 169.0 23.0 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -66.13 -63.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 0.755 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -70.01 -4.7 22.07 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.531 1.145 . . . . 0.0 109.394 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -78.04 -54.09 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 t -79.97 -30.78 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.61 -57.07 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.44 -59.92 8.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 55.59 44.15 27.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.77 171.2 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.54 148.8 21.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.69 118.35 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.62 18.65 4.77 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -74.7 170.7 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 38.4 tt0 -122.16 108.13 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 2.1 tp -86.18 153.78 21.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.829 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.2 mt -144.46 -39.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.563 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.87 165.44 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 7.1 p -129.46 166.4 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -71.06 129.09 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.408 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.74 -12.31 59.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 13.6 mtp180 -149.26 113.46 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 0.808 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.414 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 18.9 m -82.0 78.03 8.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.829 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 3.7 mt -52.21 -58.02 7.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' C ' ' HB3' ' A' ' 64' ' ' LEU . 4.0 t 84.34 -9.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.485 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 150.18 46.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 10.7 mt -107.45 172.22 6.95 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.54 0.788 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.43 146.95 44.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.417 1.073 . . . . 0.0 109.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -64.18 -10.27 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -42.57 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.698 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -45.71 -85.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.698 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 0.49 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.542 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.2 tt0 -43.94 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.62 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.26 12.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.542 ' H ' ' C ' ' A' ' 81' ' ' GLU . 50.0 ttp -119.75 -17.7 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.5 m -89.44 -55.41 3.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -66.1 60.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.522 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.67 -57.55 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.01 -58.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.011 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 86' ' ' THR . 5.4 m -71.06 -80.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.442 ' C ' HG23 ' A' ' 86' ' ' THR . 5.6 p -146.64 152.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.522 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -115.61 94.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.559 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 6.9 p -97.54 109.51 22.25 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.407 1.067 . . . . 0.0 110.467 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -130.31 159.42 37.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.203 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.55 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.482 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 5.4 m -117.51 158.87 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.78 122.84 33.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.221 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.4 147.44 31.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -166.15 -66.58 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.572 1.17 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.5 119.16 4.57 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.411 1.069 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.22 -177.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 0.709 . . . . 0.0 109.327 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.7 179.4 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 75.55 3.68 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.57 151.34 19.76 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.53 95.55 0.17 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -125.23 170.82 10.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -123.09 100.35 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.29 167.32 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 110.34 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.25 127.48 7.02 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -171.5 171.78 2.24 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.357 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 130.59 13.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 173.05 -175.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.209 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CD1' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -99.43 120.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.434 HD13 ' CD2' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -107.27 148.81 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -132.58 114.41 14.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 3.4 t -113.04 125.12 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' A' ' 89' ' ' VAL . 88.7 m -102.2 138.56 38.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.94 106.51 0.83 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -91.3 -50.58 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -86.19 -7.22 58.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 52.22 40.58 29.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 10.5 t30 -93.19 52.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 67.63 -59.01 0.32 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 168.93 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 89.48 32.62 10.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.0 mt -108.81 152.25 25.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 0.706 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -137.98 108.22 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.062 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.6 170.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.0 t -151.42 157.82 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . . . -139.47 133.66 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.13 156.39 19.35 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -128.46 165.69 20.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -166.64 -153.17 7.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.537 1.148 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.75 119.92 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.395 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.98 -77.47 0.68 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.43 89.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.18 -56.82 0.71 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -165.22 92.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' CD2' ' C ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -144.41 121.93 11.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.426 ' N ' HD23 ' A' ' 38' ' ' LEU . . . 161.88 173.4 30.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.409 1.068 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 41' ' ' TYR . 4.6 mt -109.73 166.39 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 69.3 m-85 -160.98 162.79 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -106.72 117.94 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.94 -52.91 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.625 1.203 . . . . 0.0 109.374 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 169.04 173.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.54 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 17.2 m -101.48 135.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -40.37 -32.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 86.99 7.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -153.38 37.37 0.74 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.458 1.099 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -120.36 175.55 15.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 17' ' ' LEU . . . -70.75 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 0.812 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . . . -67.54 -20.6 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.54 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -66.62 -52.74 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.53 -58.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.84 -52.59 56.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.265 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -66.17 -53.68 28.32 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.579 1.175 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 55.42 44.78 26.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' CD2' HD13 ' A' ' 13' ' ' ILE . 12.0 mt -70.59 155.98 40.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.6 151.77 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.02 114.13 25.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.73 28.33 2.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.73 157.11 16.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 109.352 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' ALA . 8.5 tt0 -101.84 116.84 33.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' A' ' 92' ' ' LEU . 1.5 tp -101.64 158.11 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -147.64 -32.58 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.619 1.2 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -111.44 152.35 27.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.516 HG12 ' CB ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -126.26 163.96 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.13 124.76 24.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.59 -14.19 64.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -147.6 104.4 3.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.351 0.677 . . . . 0.0 110.364 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.466 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 16.5 m -73.16 61.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.607 ' CG ' ' HB2' ' A' ' 74' ' ' LEU . 10.7 mp -37.99 -65.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.551 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 87.97 -10.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.24 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 64' ' ' LEU . . . 157.04 51.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.646 1.216 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 12.1 mt -120.87 172.36 7.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 0.817 . . . . 0.0 109.384 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 158.04 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 16.2 pt20 -82.61 -15.22 52.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' HG2' ' HG3' ' A' ' 78' ' ' ARG . 1.2 tt0 -40.19 -55.53 2.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -84.82 -56.06 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB1' ' CD1' ' A' ' 71' ' ' LEU . . . -45.98 -65.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.619 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -32.25 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.64 1.213 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 84' ' ' THR . 19.0 tt0 -36.27 -72.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 1.7 tm? -44.85 -28.0 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.64 ' SD ' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -87.22 -30.35 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -52.35 -52.59 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.181 . . . . 0.0 110.481 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -70.58 57.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -82.17 -52.12 7.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 5.02 74.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.3 m 156.45 -47.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 16' ' ' THR . 2.3 p -176.73 139.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.51 ' HB ' ' CG2' ' A' ' 86' ' ' THR . 1.4 p -131.27 146.66 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.536 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 80.2 p -152.84 145.67 24.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.64 ' CD2' ' SD ' ' A' ' 83' ' ' MET . 1.2 mp -151.45 164.97 35.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.631 1.207 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.496 ' CB ' ' HB2' ' A' ' 65' ' ' SER . 15.2 tt0 -109.95 113.46 26.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.401 ' CG1' HD13 ' A' ' 63' ' ' LEU . 9.7 m -104.5 162.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.175 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -150.76 144.54 25.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.206 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 139.98 37.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.56 102.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.319 1.012 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.34 -96.09 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.32 108.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.443 0.731 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.1 tt -172.36 165.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 152.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.67 156.7 25.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.26 156.07 15.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -178.13 -177.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt 57.99 169.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -149.24 120.04 7.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.477 1.111 . . . . 0.0 110.222 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -124.56 178.44 5.42 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -43.78 -54.4 10.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.5 Cg_endo -74.98 117.23 4.84 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.502 1.79 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 171.15 -163.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 tt -85.05 111.38 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.208 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.47 HG13 ' CG2' ' A' ' 94' ' ' VAL . 0.8 OUTLIER -99.9 142.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.18 111.07 17.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.527 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -106.73 115.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.44 ' OG1' ' CG2' ' A' ' 89' ' ' VAL . 10.6 m -100.76 151.33 21.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -77.9 119.53 21.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.16 -49.77 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -93.77 -3.83 51.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 54.89 40.6 32.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 34.0 t-20 -90.1 43.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.416 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 72.02 -56.45 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.463 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 165.0 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 0.707 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 79.88 58.73 2.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 45' ' ' VAL . 1.8 mt -124.28 159.77 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -144.51 109.18 4.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.462 HD13 ' CE ' ' A' ' 83' ' ' MET . 0.4 OUTLIER -131.41 171.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 p -151.44 159.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 40' ' ' ILE . . . -139.22 127.83 23.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -102.17 153.85 19.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 168.92 17.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -38.08 118.23 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.64 121.13 14.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.585 0.815 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.74 -79.81 0.46 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.616 1.197 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 7.4 tt0 -114.69 -34.87 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 110.326 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' GLN . 1.4 m-20 155.22 129.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.351 1.032 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.74 70.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 4.4 tp -108.92 134.82 51.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.06 148.79 5.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -106.59 145.29 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 55.6 m-85 -148.1 160.94 42.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 t -99.26 123.23 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' SER . 20.9 tptt -74.32 -51.32 15.55 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 168.11 173.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.959 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 25' ' ' LEU . 17.0 m -97.18 135.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.38 1.05 . . . . 0.0 109.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.4 t -39.75 -33.07 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.338 1.024 . . . . 0.0 109.284 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 14.0 tptt 86.81 5.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -149.99 36.18 0.97 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -119.63 174.46 15.49 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -73.74 -54.97 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.527 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . . . -73.99 -11.32 60.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.202 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -78.92 -52.9 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.7 t -80.34 -32.72 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 30.7 t70 -80.14 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -62.46 -50.61 63.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 55.47 46.0 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 0.708 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.7 mt -68.79 155.79 39.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.376 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.98 143.68 28.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.9 118.46 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.95 16.9 5.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 12.4 m-20 -73.61 170.86 14.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -123.18 109.13 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.339 1.025 . . . . 0.0 110.223 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 1.7 tp -87.33 156.91 19.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -144.5 -40.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.455 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.34 166.05 14.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 69' ' ' ARG . 9.3 p -128.15 169.82 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.519 ' CA ' ' O ' ' A' ' 91' ' ' THR . 60.7 t0 -70.21 135.14 48.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.32 8.23 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.577 ' CB ' ' CG1' ' A' ' 66' ' ' VAL . 3.2 mtt85 -153.44 85.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -69.5 91.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.807 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -71.12 -51.76 23.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.644 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.08 -6.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.379 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 145.52 55.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 18.8 mt -120.27 173.02 7.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 152.7 41.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.21 -8.56 32.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 36.6 mt-10 -40.9 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -59.57 4.78 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.719 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -47.24 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.719 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.4 -81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.6 tt0 -42.96 -68.04 0.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -73.98 13.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.534 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 50.5 ttp -118.55 -13.43 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.4 m -97.64 -56.9 2.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -67.64 56.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 110.386 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 89' ' ' VAL . 31.6 m -87.13 -54.39 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.2 m 32.42 82.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 87' ' ' SER . 2.1 t 151.26 -55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.955 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.535 ' O ' ' CG2' ' A' ' 86' ' ' THR . 5.3 p -174.5 120.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.5 HG12 ' CB ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -104.06 98.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.138 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.519 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 3.3 p -95.19 109.85 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -124.01 157.14 35.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 7.5 tm-20 -104.23 115.33 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.582 1.176 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.47 ' CG2' HG13 ' A' ' 13' ' ' ILE . 16.9 m -115.6 170.2 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.34 147.99 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.373 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 137.06 10.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -178.53 149.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.96 116.89 1.84 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.598 1.187 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' C ' ' CG1' ' A' ' 100' ' ' ILE . . . 176.78 178.97 0.22 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.493 0.761 . . . . 0.0 109.387 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.405 ' CG1' ' C ' ' A' ' 99' ' ' ALA . 1.7 pt 41.17 85.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.377 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.59 7.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.354 1.712 . . . . 0.0 111.01 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.01 -66.81 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.64 104.8 1.01 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.45 175.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.037 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.74 -175.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -91.44 172.58 8.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 41.21 79.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -163.74 146.65 7.87 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -74.96 -170.35 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 1.8 tp10 82.4 -156.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.195 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tt -85.6 117.5 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.405 HD12 ' CG2' ' A' ' 94' ' ' VAL . 0.6 OUTLIER -118.08 150.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.463 ' CB ' HG22 ' A' ' 91' ' ' THR . 11.2 t -127.56 134.7 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.457 ' CG1' HG22 ' A' ' 90' ' ' VAL . 12.3 p -123.1 156.38 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.474 ' CG2' HG22 ' A' ' 89' ' ' VAL . 10.6 m -136.63 140.33 42.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 ' CB ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -58.11 87.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -74.72 -60.41 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -6.4 57.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 52.83 41.26 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.299 0.999 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' MET . 20.8 t-20 -100.93 54.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 67.84 -60.02 0.35 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.47 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 167.27 -70.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.636 0.845 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 74.63 74.34 0.87 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.4 mt -140.65 160.51 39.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.438 0.728 . . . . 0.0 109.347 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.46 110.49 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.055 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.431 HG13 ' NE2' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -130.52 168.02 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -151.09 142.71 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . . . -131.89 129.54 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.204 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.65 154.97 23.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.4 168.05 14.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.19 140.94 3.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.398 1.061 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.83 138.8 39.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 75.29 -73.07 1.61 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -55.05 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.6 m-20 -40.68 115.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.72 -43.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tp -41.42 149.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.486 1.116 . . . . 0.0 109.218 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.38 158.05 7.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 1.7 mt -101.91 164.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.524 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 54.3 m-85 -157.97 172.86 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 55.4 t -112.32 118.05 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -74.96 -45.46 42.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 p 159.96 172.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 5.7 m -95.92 144.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.6 t -50.14 -30.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 18.4 tptt 87.55 8.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.34 38.28 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -126.87 176.08 17.8 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -65.11 -71.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' O ' ' CA ' ' A' ' 55' ' ' GLY . . . -56.16 -34.6 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.93 -54.64 27.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -80.83 -70.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.624 1.203 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -45.93 -61.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -55.45 -56.58 22.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.65 44.19 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.51 154.38 41.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.232 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 151.29 34.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.21 114.81 27.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 122.99 9.12 6.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.436 1.085 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -74.77 168.41 19.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 4.0 tt0 -114.05 110.71 20.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.579 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 4.6 tp -91.83 158.66 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.22 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -148.76 -30.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.618 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -114.66 145.86 41.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.617 ' CG2' ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -120.32 159.02 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -70.94 113.29 7.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 109.203 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.45 -15.57 27.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 1.8 mtp85 -151.21 112.29 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.235 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 50.3 m -71.05 59.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' A' ' 65' ' ' SER . 9.9 mp -37.81 -65.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 70' ' ' SER . 38.4 t 71.8 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.522 ' HA2' ' CD1' ' A' ' 64' ' ' LEU . . . 167.49 51.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.601 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 9.7 mt -130.57 169.89 14.99 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 0.787 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.413 ' O ' HD21 ' A' ' 71' ' ' LEU . 0.8 OUTLIER -81.81 162.46 22.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 pt20 -82.84 -10.93 58.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.06 -61.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -48.41 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.321 1.013 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.571 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -51.2 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -27.01 -63.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.98 -69.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -59.18 -11.96 4.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.617 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.62 -11.46 22.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 80' ' ' ALA . 32.0 m -83.03 -56.01 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -67.61 58.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.548 ' O ' ' C ' ' A' ' 87' ' ' SER . 1.2 m -86.74 -56.21 3.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 26.81 71.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 156.94 -66.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.493 ' C ' HG23 ' A' ' 86' ' ' THR . 0.3 OUTLIER -154.57 137.83 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.518 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -120.48 162.77 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.495 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -151.12 136.35 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 63' ' ' LEU . 5.1 mp -150.62 135.73 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.8 108.6 19.89 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.405 ' CG2' HD12 ' A' ' 13' ' ' ILE . 2.9 m -100.32 166.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -151.47 160.37 43.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.03 125.44 31.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.54 -53.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.191 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.73 -166.33 19.56 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.598 1.186 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 100' ' ' ILE . . . -164.92 117.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 99' ' ' ALA . 8.9 pt 49.36 -166.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 41.8 p90 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.052 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 141.32 26.47 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.58 112.22 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.64 1.213 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.4 -145.3 6.96 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.145 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -126.07 128.9 48.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 0.713 . . . . 0.0 110.064 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.0 131.85 12.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 175.02 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.231 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.75 91.78 5.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER 168.23 174.17 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.377 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 9' ' ' GLU . 18.2 Cg_endo -75.05 162.1 37.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.59 1.837 . . . . 0.0 111.048 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -145.43 135.48 23.77 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.693 1.245 . . . . 0.0 110.378 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -90.57 113.67 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' CG1' ' CG2' ' A' ' 94' ' ' VAL . 4.1 mm -110.57 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 t -134.18 131.53 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -120.89 108.23 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.2 m -92.08 146.77 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -74.59 104.83 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.62 -52.25 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -97.88 -3.86 37.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.325 1.015 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.506 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 37.7 mt-30 52.28 41.94 30.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' HB3' ' N ' ' A' ' 50' ' ' ALA . 58.6 t-20 -90.64 38.4 0.94 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 88.16 -72.2 2.43 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.425 1.078 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 170.68 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' O ' HG12 ' A' ' 45' ' ' VAL . . . 84.27 58.95 2.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.39 1.057 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD21 ' O ' ' A' ' 24' ' ' GLY . 21.1 mt -130.5 154.73 47.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 109.367 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -144.61 116.17 8.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.052 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.501 HD13 ' CE ' ' A' ' 83' ' ' MET . 0.7 OUTLIER -138.82 172.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.223 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 74.7 t -152.66 166.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 28' ' ' VAL . . . -138.72 131.5 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -155.72 -100.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.3 166.1 26.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' OH ' ' A' ' 41' ' ' TYR . . . 114.34 30.84 2.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' HB3' ' NE2' ' A' ' 62' ' ' GLN . . . -150.69 165.64 32.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.747 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.49 -84.03 0.14 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.563 1.164 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -120.37 -35.61 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 110.366 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.61 -33.84 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -105.95 144.79 32.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD13 ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER 77.77 91.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -146.29 127.04 2.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.638 1.212 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -101.98 150.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 58.2 m-85 -150.67 161.8 41.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -102.93 123.19 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.9 tppt? -74.56 -51.55 14.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.3 p 160.79 176.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG13 ' CB ' ' A' ' 52' ' ' ASP . 11.2 t -90.42 150.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 14.0 t -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 6.0 tptt 94.36 31.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -167.87 48.43 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.41 168.22 25.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -65.82 -60.45 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -71.7 -5.68 35.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.58 ' CB ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -76.77 -54.1 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 t -81.3 -32.3 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.6 -60.55 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -49.78 -57.02 10.2 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.574 1.171 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 55.18 44.64 27.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 0.79 . . . . 0.0 110.222 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.33 157.27 38.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.03 15.05 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.49 117.59 34.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.99 16.29 5.85 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -74.77 116.63 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 0.818 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 25.0 tt0 -73.32 112.02 8.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.55 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 1.7 tp -92.25 154.89 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -147.45 -37.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.58 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -111.25 155.19 23.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.584 ' CG2' ' CG ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -125.3 161.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.494 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.1 t0 -70.64 123.71 22.52 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.19 72.75 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' O ' HG11 ' A' ' 66' ' ' VAL . 36.9 mtt180 -150.38 118.41 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.8 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.518 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 24.3 p -82.04 77.27 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.95 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.586 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 6.9 mp -55.67 -51.52 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' C ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER 75.57 -6.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 144.65 55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 14.5 mt -116.82 173.71 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 0.805 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.479 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -73.0 155.64 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 3.3 pp0? -72.68 -6.21 42.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -44.31 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.395 1.06 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -51.08 60.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.201 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.695 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.13 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.04 . . . . 0.0 109.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -10.67 -75.34 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.393 1.058 . . . . 0.0 109.42 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' ' 83' ' ' MET . 4.5 tm-20 -43.3 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.555 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.04 11.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.692 1.245 . . . . 0.0 109.304 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.584 ' CG ' ' CG2' ' A' ' 66' ' ' VAL . 45.6 ttp -118.6 -10.0 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -100.21 -47.28 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 ttp-105 -66.53 59.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.521 ' OG1' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.41 -53.68 5.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.466 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 30.99 47.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.937 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m 175.13 -67.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.436 ' N ' HG23 ' A' ' 86' ' ' THR . 12.3 p -152.91 155.34 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.521 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.75 92.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.216 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.494 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 1.7 p -93.96 110.56 22.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.438 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -135.4 158.75 43.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 0.5 OUTLIER -100.11 111.46 23.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.516 ' CG2' ' CG1' ' A' ' 13' ' ' ILE . 26.6 m -112.78 169.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.79 119.87 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.11 173.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 78.11 132.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.86 -67.06 0.33 Allowed Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.665 1.228 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 59.84 110.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 0.719 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.9 tp -167.53 131.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.224 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.11 -179.39 4.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -135.62 -63.12 0.68 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.93 179.53 0.38 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.516 1.135 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 p -140.09 170.83 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.797 . . . . 0.0 109.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.46 97.0 6.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.189 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.82 -175.28 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 141.4 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.373 1.046 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -178.84 161.59 1.06 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.2 Cg_endo -75.05 -170.44 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 3.3 tt0 82.96 -157.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.4 tt -75.74 115.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mm -124.73 148.65 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.481 ' CB ' HG22 ' A' ' 91' ' ' THR . 39.8 p -120.3 123.53 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.384 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.42 129.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.352 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 89' ' ' VAL . 21.0 m -120.97 131.05 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -53.01 112.79 0.92 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.07 -47.59 5.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -94.3 -2.97 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 53.01 39.27 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 53.4 t-20 -92.56 49.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 68.5 -59.66 0.46 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.453 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 166.91 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.36 74.68 0.75 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.499 ' CD2' HG11 ' A' ' 45' ' ' VAL . 3.9 mt -139.9 165.89 26.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.817 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.9 t -147.13 115.18 6.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.38 1.05 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.488 HD11 ' CE ' ' A' ' 83' ' ' MET . 0.6 OUTLIER -133.23 172.34 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 29' ' ' ALA . 79.3 t -150.55 142.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 76' ' ' GLN . . . -129.1 125.64 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -96.62 135.45 38.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -151.22 123.87 8.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . 36.19 45.92 0.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.062 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.33 167.17 18.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 0.792 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.25 53.58 4.44 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 21.3 tp60 -154.77 89.46 1.24 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.428 0.722 . . . . 0.0 110.343 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 35' ' ' GLN . 1.8 t0 80.02 -158.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -125.12 43.18 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 1.9 tt 82.48 133.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' N ' ' CD2' ' A' ' 38' ' ' LEU . . . 156.94 156.22 7.79 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.398 1.061 . . . . 0.0 111.079 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -105.08 156.47 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.627 0.839 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 59.7 m-85 -154.65 166.74 32.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.86 120.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.9 tppt? -75.47 -45.58 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.2 p 158.39 173.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 25' ' ' LEU . 5.0 m -89.7 143.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.491 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 2.7 t -52.7 -23.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.365 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HA ' ' OD1' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 78.45 15.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -159.07 40.03 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -133.7 173.68 21.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -65.05 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -57.53 -29.29 64.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -57.34 -53.97 52.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -80.75 -64.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -49.76 -61.27 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -54.15 37.38 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 55.53 44.48 26.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.39 152.39 44.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.379 1.049 . . . . 0.0 109.328 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . . . -82.85 164.68 20.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.07 120.72 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.02 19.54 5.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -82.63 118.4 23.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.442 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 6.0 tt0 -74.31 112.51 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 92' ' ' LEU . 2.9 tp -94.58 154.81 17.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.33 -34.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -113.21 157.01 22.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.089 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 71' ' ' LEU . 5.0 t -125.01 173.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 69' ' ' ARG . 45.0 t0 -62.15 136.1 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 46.03 18.9 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 71' ' ' LEU . 12.1 mtp180 -151.26 77.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.408 0.711 . . . . 0.0 110.233 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 m -63.29 77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.949 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.571 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 8.9 mp -54.31 -52.01 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 85.59 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 144.77 54.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 14.4 mt -115.0 175.34 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.26 165.07 23.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.938 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -78.24 -15.6 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 2.0 mm-40 -39.43 -71.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -40.21 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.697 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -56.02 -91.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.697 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.06 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.9 tt0 -37.68 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -73.2 15.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.556 ' H ' ' C ' ' A' ' 81' ' ' GLU . 42.9 ttp -122.65 -4.77 8.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.455 1.097 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -107.18 -48.23 3.51 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -64.7 60.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.567 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -83.56 -54.36 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 30.29 52.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.8 m 164.81 -61.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.43 ' N ' HG23 ' A' ' 86' ' ' THR . 13.1 p -158.61 140.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 90' ' ' VAL . 0.5 OUTLIER -129.6 112.41 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.538 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -95.46 163.68 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 110.445 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.538 ' CD1' ' O ' ' A' ' 91' ' ' THR . 0.7 OUTLIER -168.17 139.57 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.403 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -105.16 107.18 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 4.0 m -104.79 169.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -151.82 143.99 23.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -70.3 117.55 12.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -147.46 -47.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.56 176.58 14.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.463 1.102 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.11 167.74 10.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.42 0.718 . . . . 0.0 109.268 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.04 134.53 59.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.219 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 117.5 4.91 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.37 1.721 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.85 158.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.195 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.28 92.45 1.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.88 169.27 11.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 0.794 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.5 172.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 68.65 166.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -61.35 -61.21 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 63.76 159.95 0.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 131.74 14.77 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 178.96 -164.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 20.6 tt -92.12 129.34 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG13 ' CG2' ' A' ' 94' ' ' VAL . 1.6 mm -116.04 145.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.486 ' CB ' HG22 ' A' ' 91' ' ' THR . 72.1 p -122.54 118.18 27.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -110.33 109.18 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 m -94.59 153.85 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -83.3 102.29 11.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.394 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -85.76 -52.6 5.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.39 -5.97 53.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 3.5 mm100 54.08 40.17 31.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.626 1.204 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' HB2' ' N ' ' A' ' 50' ' ' ALA . 55.4 m-20 -89.21 40.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 78.05 -60.39 3.85 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.158 . . . . 0.0 111.054 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.463 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 166.33 -70.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 78.91 47.36 7.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -116.67 161.26 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.2 t -144.32 117.19 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 110.071 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.516 HG12 ' CE ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -124.57 172.14 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.6 t -153.63 148.64 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.33 137.95 51.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . -115.56 160.89 19.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -147.93 110.23 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.71 88.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.29 125.02 11.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.12 -81.88 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -165.38 72.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.363 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.34 147.99 4.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.61 88.09 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.496 HD22 ' CA ' ' A' ' 74' ' ' LEU . 2.4 tp 68.06 146.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.35 119.49 0.89 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -102.83 138.83 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.611 0.83 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 51.0 m-85 -145.72 156.56 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 9.6 t -89.89 123.52 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 44' ' ' SER . 4.0 tttp -72.96 -43.55 62.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.5 p 151.62 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.624 1.202 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 m -93.66 154.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 55.5 t -71.65 -5.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 2.9 pttt 53.37 30.93 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.96 30.94 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.593 1.183 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -125.53 174.85 17.52 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' N ' ' HB2' ' A' ' 21' ' ' ASN . . . -74.27 -62.1 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . . . -66.79 -10.16 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.605 1.19 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -81.14 -52.67 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.387 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.1 t -74.37 -36.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.5 -48.85 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.623 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -67.3 -45.49 79.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 46.91 41.36 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 110.328 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 mt -70.22 150.52 46.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 109.239 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.2 162.14 17.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.22 123.95 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 9.34 8.54 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 1.5 m-20 -73.63 115.9 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.532 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 10.8 tt0 -73.74 110.48 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 HD22 ' CG2' ' A' ' 40' ' ' ILE . 0.5 OUTLIER -89.66 152.23 21.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -143.06 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.674 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.84 160.62 19.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.569 1.168 . . . . 0.0 110.035 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 71' ' ' LEU . 13.3 p -129.89 168.65 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' CA ' ' O ' ' A' ' 91' ' ' THR . 57.8 t0 -72.54 128.0 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.59 3.38 86.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 24.1 mtt-85 -152.25 122.45 7.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.507 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 67.6 m -89.99 70.48 7.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.715 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 77.7 mt -54.1 -56.9 13.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.577 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.31 -6.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 142.85 52.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 46.3 mt -113.17 175.62 5.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.427 0.722 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.84 153.38 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -65.98 -10.73 42.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.85 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -52.97 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.722 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -45.59 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.722 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.01 -83.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.4 tt0 -45.55 -64.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.31 11.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.519 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 12.2 ttp -117.95 -14.85 10.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.369 1.043 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.7 m -96.42 -51.49 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.368 1.042 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -66.07 63.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.535 ' OG1' ' CG1' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.36 -53.3 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 33.35 58.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.5 OUTLIER 163.54 -66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -155.6 156.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.535 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.4 89.9 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.527 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 2.8 p -91.34 111.77 23.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.451 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.422 HD21 ' SD ' ' A' ' 83' ' ' MET . 0.1 OUTLIER -132.37 156.24 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -102.55 124.63 48.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.479 ' CG2' HG13 ' A' ' 13' ' ' ILE . 13.2 m -124.8 166.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.211 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -147.88 128.6 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 117.2 4.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -139.21 -74.23 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.06 131.43 3.33 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 124.559 1.162 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 172.4 -171.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 0.733 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 tp -160.46 -48.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 -38.78 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.475 1.776 . . . . 0.0 110.941 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 64.05 113.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.617 1.198 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.36 144.14 3.85 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.334 1.021 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -86.51 145.49 26.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.606 0.827 . . . . 0.0 110.088 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -43.11 157.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.63 144.36 15.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -64.15 -61.02 2.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.064 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.02 165.2 0.14 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HB3' ' CB ' ' A' ' 95' ' ' ALA . 17.9 Cg_endo -75.18 175.49 11.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.905 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.61 151.89 30.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.52 108.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.488 ' CD1' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -99.88 149.76 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.48 ' CB ' HG22 ' A' ' 91' ' ' THR . 67.1 p -136.68 141.6 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.362 1.039 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 7.3 p -142.35 150.53 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.478 ' CG2' ' CG2' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -115.56 154.31 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.385 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -75.46 82.62 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -70.6 -64.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.405 1.065 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -71.87 -6.83 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.83 40.47 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' HA2' ' A' ' 49' ' ' GLY . 27.3 m-20 -92.72 29.47 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 81.3 -49.31 3.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.464 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 166.28 -78.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 85.15 55.76 2.56 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.548 1.155 . . . . 0.0 111.074 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 mt -126.43 150.04 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -133.63 119.33 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.12 164.5 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -151.07 136.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.473 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . . . -124.41 136.27 53.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -105.72 146.65 29.51 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 123.31 8.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 41.92 49.82 5.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.408 1.068 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.89 170.54 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.33 57.67 3.28 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.86 87.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 0.733 . . . . 0.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 24.7 t70 66.52 171.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.3 61.82 3.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 2.3 tt 66.01 129.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' HD21 ' A' ' 38' ' ' LEU . . . 167.27 170.19 31.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.575 ' O ' ' CG ' ' A' ' 41' ' ' TYR . 5.7 mt -109.8 167.47 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 65.0 m-85 -163.5 168.11 20.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' ASP . 25.4 t -107.45 120.21 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.396 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.0 tptt -73.96 -43.46 58.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.2 t 154.42 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -88.16 139.71 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -47.43 -31.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 17.7 tptt 90.32 3.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -152.04 43.81 0.66 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -131.2 176.07 19.24 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -65.24 -70.85 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 0.809 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -57.43 -34.28 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.77 -54.72 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.349 1.03 . . . . 0.0 109.204 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.07 -70.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.612 1.195 . . . . 0.0 109.239 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.57 -61.6 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -52.57 48.16 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 55.46 44.67 26.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.89 164.84 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.42 171.96 8.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.53 133.09 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.88 19.43 10.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -84.19 118.92 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.4 tt0 -73.88 121.7 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 92' ' ' LEU . 1.9 tp -101.8 157.29 16.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 5.2 mt -140.14 -38.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.561 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -110.46 156.7 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.937 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.675 ' CG2' ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -129.17 158.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.383 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -69.83 125.73 27.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.219 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 -15.71 62.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -150.6 114.43 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.532 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 5.5 p -81.39 74.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.632 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.31 -54.78 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.632 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.63 -5.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.472 ' HA2' ' CD2' ' A' ' 64' ' ' LEU . . . 153.23 53.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.531 1.145 . . . . 0.0 111.083 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.58 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 6.2 mt -125.15 173.26 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.48 ' CB ' ' CD ' ' A' ' 77' ' ' GLU . 3.4 m -73.71 156.01 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.698 HE21 ' N ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -82.48 -11.24 58.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.698 ' N ' HE21 ' A' ' 76' ' ' GLN . 1.9 pt-20 -41.02 -57.58 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.14 -52.47 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.549 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -50.52 -72.45 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -28.54 -58.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 109.425 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -42.88 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.208 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.76 -6.68 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.675 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.85 -14.6 19.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 80' ' ' ALA . 6.6 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -67.79 59.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.503 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -84.7 -55.52 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 31.52 53.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.964 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.95 -63.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.09 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.478 ' CG2' ' CG2' ' A' ' 16' ' ' THR . 0.5 OUTLIER -157.85 151.3 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.499 HG12 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.88 143.76 40.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.558 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 35.7 p -151.06 129.41 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.639 ' CD1' HD11 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -155.61 151.64 27.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.523 ' O ' ' CD1' ' A' ' 63' ' ' LEU . 1.6 tt0 -86.82 120.5 28.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.516 ' CG1' HD13 ' A' ' 63' ' ' LEU . 5.2 m -114.86 171.41 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 109.221 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -144.43 109.82 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.86 159.96 29.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 177.53 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 110.27 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.64 -178.98 25.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 72.33 152.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -151.33 120.37 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.391 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.7 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.059 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 172.19 16.84 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.546 1.813 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.44 168.46 13.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.43 -173.15 32.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.03 133.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 0.824 . . . . 0.0 109.889 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER 61.35 119.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.49 79.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -95.85 -76.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -40.96 -52.57 6.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.5 Cg_endo -75.08 108.96 2.84 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 173.1 -160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 19.5 tt -92.61 111.38 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -102.17 145.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.615 1.197 . . . . 0.0 109.272 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.479 ' CG2' HG22 ' A' ' 91' ' ' THR . 21.3 p -119.61 112.84 19.82 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.611 1.195 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -105.79 109.23 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -95.18 146.07 24.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -75.76 107.06 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.36 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -47.59 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -91.38 -3.55 56.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 53.21 41.01 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.83 34.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 76.43 -53.47 3.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 166.3 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 87.15 46.95 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' CD2' HG13 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -115.36 164.02 14.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -146.36 110.84 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.928 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.506 ' CD1' ' CD ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -126.54 177.46 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 4.2 p -153.17 161.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.402 1.064 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -142.32 120.15 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.234 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' C ' ' HA ' ' A' ' 38' ' ' LEU . . . -99.87 165.54 11.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.227 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.01 170.41 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.463 ' N ' ' HB2' ' A' ' 38' ' ' LEU . . . 122.18 -113.97 2.37 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.471 1.107 . . . . 0.0 111.067 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.79 145.94 29.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 0.763 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.494 ' O ' ' CG ' ' A' ' 35' ' ' GLN . . . -78.85 52.4 3.93 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 34' ' ' GLY . 0.7 OUTLIER 173.79 -33.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 110.334 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -87.67 -72.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.612 1.195 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -104.42 -75.05 0.63 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 ' HB2' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -37.15 136.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.068 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 160.43 -169.86 36.31 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.548 ' CG2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -140.14 140.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 28.8 m-85 -140.64 161.09 38.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.91 120.19 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.2 tttt -73.5 -42.6 61.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 154.04 173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.526 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 14.1 m -97.49 136.49 28.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.0 t -40.31 -30.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.415 1.072 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.3 tptt 80.71 11.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.8 34.73 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.95 177.84 16.49 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' CB ' HD21 ' A' ' 17' ' ' LEU . . . -74.1 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 0.8 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -67.92 -8.32 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -53.56 6.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.8 t -76.23 -31.21 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.33 -42.74 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.561 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -75.62 -44.11 21.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 47.99 42.44 16.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.226 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.9 mt -67.82 154.49 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.23 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 163.24 24.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -103.55 116.7 32.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.608 1.192 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.09 16.34 5.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 19.4 m-20 -74.41 170.53 15.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 35.7 tt0 -120.59 111.64 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -88.62 149.81 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -141.74 -34.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.642 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -115.06 153.41 30.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.524 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 3.7 p -126.18 155.19 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.414 ' CG ' ' OG1' ' A' ' 91' ' ' THR . 49.4 t0 -66.25 122.64 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.51 -24.43 32.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.1 mtp85 -139.51 118.69 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -78.12 76.0 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 81.6 mt -54.97 -55.7 27.84 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.564 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.8 -8.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 109.275 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 147.71 54.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.612 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 12.2 mt -116.76 174.0 6.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 0.802 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.8 167.69 19.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.506 ' CD ' ' CD1' ' A' ' 27' ' ' ILE . 1.6 mm100 -74.52 -11.37 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.24 -71.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -53.88 53.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.707 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -50.81 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 2.49 -80.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.379 1.049 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.634 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.9 tt0 -52.61 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.522 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.54 20.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.634 ' H ' ' C ' ' A' ' 81' ' ' GLU . 3.3 tpt -121.8 -29.39 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.3 m -89.78 -52.25 5.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -64.33 67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.556 ' OG1' ' CG1' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -83.73 -51.27 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.5 OUTLIER 34.62 58.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.085 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 161.33 -64.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.058 . . . . 0.0 110.039 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 86' ' ' THR . 11.6 p -164.12 152.3 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.556 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -121.22 94.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.542 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 5.4 p -94.36 104.74 16.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.582 ' HB3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.29 167.37 12.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 44.2 tt0 -116.6 111.82 20.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 13' ' ' ILE . 16.8 m -112.03 164.9 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.371 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.91 150.46 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? 62.02 160.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -94.37 -79.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.192 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.4 -167.57 24.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.56 1.163 . . . . 0.0 111.053 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -150.23 171.08 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 109.299 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 100' ' ' ILE . 0.8 OUTLIER -136.08 104.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CD1' ' C ' ' A' ' 101' ' ' TYR . 2.0 p90 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 155.24 43.52 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -179.63 143.74 0.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.43 146.69 13.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -178.52 84.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 0.805 . . . . 0.0 109.903 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.05 114.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.51 159.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.35 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -49.23 111.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.626 1.204 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 162.67 171.35 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.622 1.201 . . . . 0.0 110.311 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' CA ' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -74.98 101.04 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.3 165.93 13.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.1 tt -92.6 110.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.611 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 0.3 OUTLIER -97.8 145.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.5 ' CG2' HG22 ' A' ' 91' ' ' THR . 16.7 p -132.87 110.31 10.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 51' ' ' ALA . 8.6 p -114.5 125.81 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' LYS . 93.8 m -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 110.409 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -59.13 85.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -67.25 -69.27 0.32 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.381 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -77.21 -7.08 55.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 29.1 mt-30 53.06 41.23 32.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' MET . 5.4 m-20 -105.1 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.255 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 66.55 -65.8 0.17 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.48 ' HE2' ' CG1' ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.48 -65.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . 79.31 79.34 0.82 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD23 HG11 ' A' ' 45' ' ' VAL . 7.1 mt -152.45 152.44 31.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.781 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.23 109.23 5.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.539 1.149 . . . . 0.0 109.952 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CD1' ' HE2' ' A' ' 83' ' ' MET . 1.3 pt -121.54 175.38 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.05 142.13 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.616 1.197 . . . . 0.0 109.349 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 76' ' ' GLN . . . -127.27 123.64 36.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -98.52 157.04 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.07 169.11 9.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.594 1.184 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.27 -147.5 17.85 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.379 1.049 . . . . 0.0 111.038 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.27 137.77 43.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.226 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' CG ' ' A' ' 35' ' ' GLN . . . -74.54 54.7 2.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.084 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 175.53 40.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 110.378 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.28 -58.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.5 mtmm -130.49 -54.85 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 2.0 tm? -37.71 120.76 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' N ' HD22 ' A' ' 38' ' ' LEU . . . 156.66 153.78 6.77 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.548 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.4 mt -102.05 155.02 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.464 0.743 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 66.4 m-85 -159.12 165.82 32.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.355 1.034 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 15.3 t -103.09 124.63 57.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -80.98 -55.11 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 173.95 173.79 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' A' ' 52' ' ' ASP . 8.2 t -96.99 149.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.058 . . . . 0.0 109.203 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.8 t -65.54 -16.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' HA ' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER 71.51 21.16 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -160.66 61.48 0.29 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -152.75 177.58 30.36 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.466 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -67.71 -64.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -67.1 -8.2 28.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.556 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.63 -56.25 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 t -81.34 -34.5 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.36 -60.21 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.61 -57.7 18.45 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 56.47 42.85 26.89 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 0.78 . . . . 0.0 110.261 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.16 169.15 15.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.38 171.16 7.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' LYS . . . -94.28 127.59 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.77 8.25 8.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m-20 -75.07 112.1 10.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 95' ' ' ALA . 55.6 tt0 -73.86 116.76 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 64' ' ' LEU . 3.0 tp -97.64 155.56 16.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HB3' ' C ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -146.29 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.98 160.58 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.095 . . . . 0.0 109.961 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG1' ' HB2' ' A' ' 69' ' ' ARG . 2.2 p -130.81 169.81 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.4 t0 -71.41 131.52 43.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 69' ' ' ARG . . . 76.83 -5.86 44.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.602 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -150.1 116.57 5.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 0.777 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LEU . 58.3 p -86.66 65.13 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.573 ' CG ' ' HB2' ' A' ' 74' ' ' LEU . 7.9 mp -37.31 -55.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.556 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 82.76 -5.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.407 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' CA ' HD22 ' A' ' 64' ' ' LEU . . . 142.41 54.6 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 16.8 mt -117.53 175.11 5.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 0.785 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.65 168.05 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.523 ' OE1' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -79.61 -10.72 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.56 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -58.53 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.643 1.214 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.694 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -44.61 -81.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.641 1.213 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.08 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.225 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 83' ' ' MET . 6.5 tt0 -42.42 -67.17 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -73.53 14.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.072 . . . . 0.0 109.27 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.591 ' CG ' ' CG2' ' A' ' 66' ' ' VAL . 46.6 ttp -122.63 -7.44 8.57 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.542 1.151 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -103.28 -48.66 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 59.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.8 OUTLIER -85.8 -54.17 4.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.428 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 29.64 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m 175.25 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.929 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.416 ' N ' HG22 ' A' ' 86' ' ' THR . 14.9 p -153.93 154.91 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.513 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -130.39 103.66 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.5 HG22 ' CG2' ' A' ' 14' ' ' THR . 1.5 p -105.18 110.78 23.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -134.2 159.62 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 6.3 tt0 -102.99 111.53 23.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.611 ' CG2' ' CD1' ' A' ' 13' ' ' ILE . 5.8 m -117.81 158.49 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB2' ' CA ' ' A' ' 10' ' ' PRO . . . -127.06 126.73 43.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -51.57 -57.32 9.43 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -38.17 119.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.12 155.22 7.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.43 106.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.6 mt -98.12 -72.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -60.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.598 1.841 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mt 60.29 168.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.065 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.67 112.1 0.95 Allowed Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.493 1.121 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 p -169.9 167.9 8.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 0.83 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 mp -87.83 152.75 21.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.96 156.61 22.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.62 -179.19 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HG2' ' CD ' ' A' ' 10' ' ' PRO . 3.1 mt-10 -142.69 171.92 6.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 18.0 Cg_endo -75.16 144.39 29.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -119.6 144.61 47.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.251 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CD1' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -88.65 110.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG13 ' CG2' ' A' ' 94' ' ' VAL . 1.5 mm -105.52 145.21 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.481 ' CG2' HG22 ' A' ' 91' ' ' THR . 68.6 p -128.43 111.19 13.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -106.18 111.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 7.4 m -101.13 120.25 39.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.605 1.191 . . . . 0.0 110.372 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -40.42 117.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -45.03 5.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -95.15 -4.34 46.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.476 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 91.6 mt-30 55.51 41.51 30.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.265 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.64 44.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.461 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 70.28 -56.87 0.86 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.474 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 167.48 -80.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 110.975 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 82.88 62.18 1.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.503 ' CD2' HG11 ' A' ' 45' ' ' VAL . 3.1 mt -129.62 165.13 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -146.56 116.49 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.003 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.498 HD12 ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -145.59 168.41 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.3 171.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' CB ' ' CG ' ' A' ' 76' ' ' GLN . . . -139.26 127.8 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 1.061 . . . . 0.0 109.184 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' O ' ' CD1' ' A' ' 38' ' ' LEU . . . -95.1 147.67 23.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.058 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 118.28 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 38.01 45.79 1.69 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.32 152.22 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.38 49.01 4.07 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -169.01 31.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 0.716 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.31 -173.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.37 1.044 . . . . 0.0 109.292 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -127.35 44.13 2.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 4.9 tp 66.86 135.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' N ' HD13 ' A' ' 38' ' ' LEU . . . 158.34 155.98 7.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -98.91 146.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 62.4 m-85 -149.31 161.75 41.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.592 1.182 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.476 HG23 ' CG2' ' A' ' 27' ' ' ILE . 42.5 t -102.4 128.58 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 tttt -79.93 -43.19 22.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER 159.46 172.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 5.5 m -93.29 137.49 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.7 t -40.36 -33.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 23.7 tptt 87.98 8.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.37 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.15 36.46 0.65 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -122.57 176.05 16.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -68.71 -67.3 0.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -61.36 -24.72 66.67 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.08 -55.29 30.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.85 -59.32 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -61.22 2.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.86 -51.06 60.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 55.13 45.91 25.07 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.27 165.01 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.11 . . . . 0.0 109.203 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.81 156.05 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -94.38 113.74 25.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.11 23.77 3.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.63 170.99 14.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 36.3 tt0 -119.37 107.71 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.337 1.023 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.57 ' O ' HD11 ' A' ' 64' ' ' LEU . 2.6 tp -88.75 155.18 19.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.787 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -146.48 -37.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.541 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 1.4 p -115.66 163.03 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 9.0 p -131.7 164.25 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 0.0 109.437 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.506 ' CA ' ' O ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -72.88 129.59 38.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 -8.81 74.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.589 1.18 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 66' ' ' VAL . 51.8 mtp85 -150.88 118.93 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.454 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 62.1 m -85.09 75.46 10.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.787 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 4.0 mt -54.62 -60.63 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.88 -5.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.483 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 150.75 52.23 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 13.5 mt -116.15 172.52 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 0.702 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 152.46 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.482 ' OE1' ' CD2' ' A' ' 63' ' ' LEU . 1.6 mm100 -64.68 -11.0 31.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.621 1.201 . . . . 0.0 110.211 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -43.82 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -47.79 -56.29 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.706 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.86 -90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 4.74 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.8 tt0 -51.31 -69.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -54.25 -15.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.529 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 32.0 ttp -97.41 -15.63 20.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.564 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -76.68 -64.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -66.86 66.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.575 ' CG2' ' C ' ' A' ' 89' ' ' VAL . 22.6 m -82.91 -41.92 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 89.55 -64.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 89' ' ' VAL . 17.6 m -175.04 50.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.575 ' C ' ' CG2' ' A' ' 86' ' ' THR . 14.0 p 178.66 92.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.532 HG13 ' CG2' ' A' ' 86' ' ' THR . 0.0 OUTLIER -105.84 93.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.506 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -97.42 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -130.85 162.42 29.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 29.3 tt0 -105.56 112.36 25.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.479 ' CG2' HG13 ' A' ' 13' ' ' ILE . 22.2 m -115.27 168.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.42 132.98 25.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 131.61 46.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.684 1.24 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -172.47 102.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.47 179.4 42.35 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.58 -171.26 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 tt -122.21 171.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 33.8 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 111.058 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.36 7.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.524 1.802 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.76 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.1 -166.1 11.24 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.488 1.117 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m 63.49 117.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 0.717 . . . . 0.0 110.027 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.92 84.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.614 1.196 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -103.94 -46.48 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.82 87.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.523 1.139 . . . . 0.0 109.41 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.57 163.12 0.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -74.96 125.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER 167.05 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.231 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 8.1 tt -82.19 116.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.451 HG13 ' CG2' ' A' ' 94' ' ' VAL . 1.4 mm -101.43 143.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.463 ' CB ' HG23 ' A' ' 91' ' ' THR . 0.9 OUTLIER -125.04 122.06 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.646 1.216 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.479 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 12.2 p -117.73 131.12 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 m -105.32 159.52 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -89.71 107.72 19.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.87 -55.6 3.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -76.35 -1.89 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 55.83 35.32 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.548 ' O ' ' C ' ' A' ' 22' ' ' GLY . 1.8 m-20 -100.07 153.0 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.65 -63.12 0.05 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.96 -49.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.51 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 61.11 62.37 5.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 24' ' ' GLY . 2.2 mt -126.0 165.58 18.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.8 m -144.94 114.74 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -132.09 166.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 p -152.8 139.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' CB ' ' OE1' ' A' ' 76' ' ' GLN . . . -125.41 142.69 51.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -124.38 169.79 11.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' CD ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -140.9 163.04 34.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.353 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.58 -176.12 41.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.89 166.94 23.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 109.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.23 -80.47 0.28 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.1 mt-30 -91.59 85.97 5.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 0.778 . . . . 0.0 110.354 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' GLN . 3.9 m-20 78.12 126.47 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.77 99.44 6.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 1.9 tm? 68.41 134.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -165.26 124.88 1.29 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.547 1.154 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.599 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 1.3 mt -99.63 160.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 68.7 m-85 -158.85 152.62 23.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG2' ' OD2' ' A' ' 61' ' ' ASP . 24.8 t -95.49 120.08 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 44' ' ' SER . 15.1 tttt -73.38 -46.02 51.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.594 1.184 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 p 156.13 173.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.7 m -89.27 134.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.51 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.1 t -53.41 -20.37 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HA ' ' OD1' ' A' ' 52' ' ' ASP . 12.6 tptt 74.97 31.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.42 45.27 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.417 1.073 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -144.56 162.69 27.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -62.1 -47.32 85.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -75.13 -29.1 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.75 -51.8 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 t -81.59 -64.06 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -50.61 -62.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.236 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.01 -60.92 6.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.87 44.47 25.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.62 158.38 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 156.35 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.14 113.51 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.6 16.21 6.56 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' OD2' ' CG2' ' A' ' 42' ' ' VAL . 1.5 p30 -80.13 171.88 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' OE1' ' CB ' ' A' ' 95' ' ' ALA . 23.7 tt0 -108.42 109.84 21.22 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD22 ' CG2' ' A' ' 40' ' ' ILE . 2.7 tp -93.86 154.48 17.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -146.95 -36.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.511 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 3.4 m -108.3 146.31 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.581 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -120.37 161.25 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.453 ' HB2' ' N ' ' A' ' 91' ' ' THR . 15.4 t70 -70.57 113.94 8.18 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.11 -15.73 33.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.41 1.068 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -150.4 117.48 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' LEU . 57.0 m -75.98 55.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.934 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.587 ' CG ' ' HB2' ' A' ' 74' ' ' LEU . 9.3 mp -33.91 -64.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.399 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 85.76 -11.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.373 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.34 50.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.457 1.098 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 11.5 mt -120.93 172.02 8.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.778 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.4 p -73.95 155.57 38.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 109.941 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.586 HE21 ' N ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -81.5 -5.78 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.586 ' N ' HE21 ' A' ' 76' ' ' GLN . 8.7 mm-40 -46.77 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.18 . . . . 0.0 110.302 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.46 -41.23 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.218 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.583 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -60.11 -75.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.583 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -25.57 -45.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 79' ' ' ALA . 11.5 tt0 -60.37 -79.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 1.4 tm? -49.35 -21.92 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.424 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.581 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -87.31 -22.77 24.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.557 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 9.2 m -64.8 -58.05 7.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.03 58.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 110.404 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.526 ' O ' ' C ' ' A' ' 87' ' ' SER . 1.9 m -87.48 -57.02 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 29.55 77.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.931 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 153.73 -60.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.504 ' C ' ' CG2' ' A' ' 86' ' ' THR . 8.5 p -168.28 131.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.508 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.04 110.79 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.523 ' C ' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -97.9 106.74 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.523 ' CD2' ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.04 144.05 50.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 25.5 tt0 -95.05 123.04 38.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.451 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.1 m -113.28 170.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' A' ' 62' ' ' GLN . . . -141.82 126.55 18.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.22 75.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.397 1.061 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 176.49 114.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.25 -97.82 0.14 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.59 1.181 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 71.34 98.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 0.717 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 mt 67.27 -81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.383 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.126 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.12 62.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.93 164.09 31.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.05 51.4 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 1.3 pt? -158.56 146.81 18.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.333 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -91.83 -64.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.37 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 109.283 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.13 172.68 1.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.471 ' CA ' ' HB3' ' A' ' 95' ' ' ALA . 18.8 Cg_endo -74.9 138.34 23.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -144.42 156.62 44.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.214 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.04 111.37 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mt -107.9 150.51 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -121.58 129.06 52.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.395 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -116.63 111.71 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.387 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.408 ' CG2' HG11 ' A' ' 89' ' ' VAL . 28.4 m -86.46 144.59 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 97.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -81.6 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.058 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -4.56 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.342 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 56.32 34.57 24.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.545 ' O ' ' C ' ' A' ' 22' ' ' GLY . 1.1 t-20 -111.24 162.33 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.61 -66.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 157.71 -44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 0.704 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 61.04 66.17 2.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -123.69 155.76 37.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.6 t -140.4 109.95 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CD1' ' HE3' ' A' ' 83' ' ' MET . 0.2 OUTLIER -129.08 169.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.413 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 2.0 p -151.59 143.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.221 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' CB ' ' H ' ' A' ' 76' ' ' GLN . . . -126.48 141.05 52.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -118.89 164.57 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' C ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -149.07 169.61 20.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.96 -158.25 21.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.83 159.47 44.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.56 -69.54 2.58 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -75.62 -30.43 59.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 0.788 . . . . 0.0 110.353 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.99 145.91 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.45 78.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.489 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 1.1 mm? 60.3 107.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.83 124.87 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.569 ' HB ' ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -100.71 156.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.595 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -151.72 172.13 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.094 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.2 t -119.3 118.0 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -72.95 -47.27 46.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 t 154.17 173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.081 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 ' N ' ' OG ' ' A' ' 44' ' ' SER . 12.8 m -81.09 157.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.388 1.055 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 60.0 t -81.14 4.57 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 18.5 pttt 49.05 44.25 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -178.43 42.93 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' HA3' ' C ' ' A' ' 23' ' ' MET . . . -146.21 166.9 27.99 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.68 -59.31 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.476 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -65.25 -28.22 69.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.62 -52.85 63.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 t -80.66 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -52.49 -64.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.394 1.059 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' ALA . . . -50.32 -56.29 13.33 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.396 1.06 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 55.21 45.96 24.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 0.811 . . . . 0.0 110.354 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 mt -69.55 148.67 49.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.57 154.01 21.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.42 115.44 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.595 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 117.71 42.82 0.6 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.1 m-20 -106.76 116.3 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 95' ' ' ALA . 3.1 tt0 -74.63 115.85 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.1 tp -99.44 152.12 20.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -137.45 -40.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.422 1.076 . . . . 0.0 109.355 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.521 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -109.03 155.54 20.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.638 ' CG2' ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -125.86 158.08 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.495 ' CA ' ' O ' ' A' ' 91' ' ' THR . 61.4 t0 -70.37 115.46 9.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.687 1.242 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.48 -19.14 34.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -151.12 115.57 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 110.258 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.548 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 45.0 p -78.29 74.1 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.648 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.43 -51.56 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.415 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.648 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.56 -5.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.507 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 148.9 53.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.415 1.072 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 9.2 mt -121.23 173.25 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 p -71.92 156.56 39.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.595 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.4 pt20 -82.49 -14.17 55.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.629 1.206 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -38.27 -57.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -56.64 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.572 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -47.71 -69.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.62 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -27.03 -63.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.84 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.546 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 1.2 tm? -61.09 -12.11 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.638 ' HG3' ' CG2' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -96.06 -16.15 21.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.62 ' N ' ' O ' ' A' ' 80' ' ' ALA . 24.8 m -78.99 -57.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.67 61.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -83.98 -55.76 4.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.434 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 m 67.2 -60.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' THR . 4.7 m -78.8 -91.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 86' ' ' THR . 1.0 OUTLIER -125.88 170.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.503 ' CG1' ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.32 105.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.495 ' O ' ' CA ' ' A' ' 67' ' ' ASP . 1.2 p -97.93 106.76 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.505 ' CD2' ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.98 151.84 51.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.412 1.07 . . . . 0.0 109.203 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.3 tt0 -98.7 116.52 31.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.1 m -119.67 165.88 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' ' CA ' ' A' ' 10' ' ' PRO . . . -141.0 129.11 22.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -67.43 146.49 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.402 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -173.06 -68.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.616 1.197 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.51 138.74 6.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -179.63 -53.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 0.807 . . . . 0.0 109.33 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.0 mt 64.69 140.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.0 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 110.942 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.04 145.07 30.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.561 1.821 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.68 -62.22 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.79 138.88 2.74 Favored Glycine 0 CA--C 1.532 1.14 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -168.52 -42.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.603 0.825 . . . . 0.0 109.929 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.16 -80.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.17 161.11 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -103.91 142.53 34.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.87 158.6 1.22 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HB3' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.07 152.16 40.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -149.81 162.45 40.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.2 tt -90.25 111.95 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 HG13 ' CG2' ' A' ' 94' ' ' VAL . 2.5 mm -98.25 145.89 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -125.42 122.13 35.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.517 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -112.22 114.2 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -88.14 148.25 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -83.35 95.46 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -78.95 -63.63 1.37 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.586 1.178 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -78.12 -4.35 46.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.41 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 0.4 OUTLIER 52.58 41.19 31.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 49.3 t-20 -91.14 37.62 0.94 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 77.13 -53.45 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.467 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 166.74 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.549 0.793 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 88.15 45.32 5.09 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' CD2' HG13 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -114.32 162.68 16.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -144.81 118.98 9.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.621 1.201 . . . . 0.0 109.95 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.494 HD11 ' CE ' ' A' ' 83' ' ' MET . 0.4 OUTLIER -134.73 172.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' ILE . 33.9 t -150.24 156.02 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 76' ' ' GLN . . . -136.26 132.83 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -112.07 157.98 20.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.22 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -151.57 119.23 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.94 82.96 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.14 125.3 47.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 0.825 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.27 -73.28 1.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -157.37 69.89 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.391 0.701 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 71.86 116.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.265 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -87.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 2.1 tt 62.91 126.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' N ' HD21 ' A' ' 38' ' ' LEU . . . 176.41 150.44 8.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.537 ' HB ' ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -102.24 156.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 0.775 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 61.5 m-85 -155.17 169.69 23.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' GLY . 54.2 t -110.81 121.46 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.665 1.228 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 tttm -74.18 -44.93 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.6 t 156.04 174.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 18.8 m -93.67 135.34 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.647 1.217 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.3 t -39.79 -30.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.635 1.21 . . . . 0.0 109.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 tptp 83.42 10.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -154.44 38.97 0.66 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -124.25 176.24 16.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.626 0.839 . . . . 0.0 111.045 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.21 -65.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.517 ' CB ' ' CG1' ' A' ' 15' ' ' VAL . . . -69.09 -6.6 29.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.79 -52.09 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.396 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.3 -31.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.201 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -81.51 -52.38 7.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -61.27 -54.07 39.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.07 44.89 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.0 mt -70.87 161.16 31.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.374 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.66 158.55 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 44' ' ' SER . . . -104.55 110.2 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.37 22.07 4.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.434 1.083 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -74.3 169.81 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 21.8 tt0 -113.78 112.13 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -95.06 151.99 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.575 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.3 -35.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.528 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -114.9 163.55 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.057 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.598 ' CG2' ' HB3' ' A' ' 79' ' ' ALA . 1.3 t -133.37 160.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 48.1 t0 -60.78 128.62 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -31.9 5.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 66' ' ' VAL . 1.7 mtt-85 -137.71 112.56 8.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.629 ' O ' ' C ' ' A' ' 71' ' ' LEU . 88.7 p -78.24 50.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.629 ' C ' ' O ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -20.62 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 89.11 -7.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.521 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 150.69 52.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.439 1.087 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.527 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 18.6 mt -114.31 173.3 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.78 155.81 38.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -65.58 -9.27 25.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -44.38 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -39.69 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.215 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.64 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -59.68 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.64 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -15.14 -69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.3 tt0 -42.03 -69.3 0.14 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.12 7.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.584 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 8.8 ttp -112.35 -7.57 13.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.5 m -103.34 -53.33 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -64.86 64.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.609 1.193 . . . . 0.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -83.74 -54.14 5.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t 67.31 -58.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.97 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.09 -77.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.476 ' C ' ' CG2' ' A' ' 86' ' ' THR . 0.9 OUTLIER -140.67 158.72 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.529 HG11 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.52 109.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.525 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 2.2 p -108.31 105.4 15.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.463 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.525 ' CD1' ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -126.3 153.7 44.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.219 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 0.0 OUTLIER -96.41 113.99 25.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 13' ' ' ILE . 9.2 m -120.42 167.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 10' ' ' PRO . . . -136.86 138.06 40.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 125.75 24.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 178.73 174.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.52 155.06 20.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -170.4 -67.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.5 mt 64.83 147.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.373 1.046 . . . . 0.0 110.997 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 81.96 2.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.447 1.762 . . . . 0.0 111.003 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.61 -63.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.18 125.16 1.63 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -143.83 148.96 36.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 0.758 . . . . 0.0 110.113 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt 64.71 164.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.427 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 177.06 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.36 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER 45.51 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -178.78 162.41 1.08 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -74.97 136.68 20.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.434 1.755 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -118.21 153.54 33.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 tt -89.06 111.04 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.223 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.509 HG13 ' CG2' ' A' ' 94' ' ' VAL . 1.0 OUTLIER -99.86 140.66 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.478 ' CG2' HG22 ' A' ' 91' ' ' THR . 3.0 m -118.73 109.19 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -105.76 108.71 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.405 ' OG1' ' CG1' ' A' ' 89' ' ' VAL . 1.1 m -94.92 155.32 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.498 HD23 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -96.24 109.06 21.6 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -48.61 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 0.0 109.401 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -88.1 -5.35 58.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.216 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 52.59 39.25 27.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 48' ' ' GLY . 17.8 t-20 -87.26 48.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 70.1 -54.52 0.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.413 1.07 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 158.92 -70.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 0.808 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 78.28 66.96 1.68 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -132.94 160.54 36.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 109.347 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.1 t -142.64 122.37 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.537 ' CD1' ' CE ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.44 169.38 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -151.67 131.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . . . -113.38 141.81 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -120.52 139.71 52.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.79 146.84 47.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.13 82.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.44 136.91 43.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.95 68.03 2.0 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.607 1.192 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -175.55 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -161.41 158.9 27.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -95.66 97.06 9.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 75' ' ' SER . 0.2 OUTLIER 78.3 117.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.375 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -138.23 112.2 0.87 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 111.078 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.565 ' CD1' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -95.03 149.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 0.799 . . . . 0.0 109.274 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 55.5 m-85 -147.4 170.19 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 1.199 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 54.2 t -106.7 121.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 44' ' ' SER . 16.9 tptm -73.59 -44.71 56.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 157.1 173.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 11.6 m -94.47 136.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 3.4 t -42.98 -28.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 82.71 7.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -150.96 35.42 0.91 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.85 170.69 13.91 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -71.6 -53.06 14.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 109.38 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . . . -77.51 -8.48 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -52.5 7.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.8 t -81.04 -33.19 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 55.8 t0 -79.01 -51.5 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -65.81 -48.25 68.36 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 55.46 45.23 25.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.382 0.696 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD22 ' CG2' ' A' ' 13' ' ' ILE . 56.7 mt -69.38 151.92 45.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 61' ' ' ASP . . . -81.65 146.96 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.45 116.65 27.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.46 16.23 5.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 26.7 m-20 -73.51 167.44 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 0.83 . . . . 0.0 109.268 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -117.77 106.75 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -82.66 153.46 25.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.784 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 64.1 mt -144.11 -39.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.58 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -119.51 168.39 11.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.572 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 9.8 p -131.36 169.29 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.511 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.6 p-10 -70.78 128.77 37.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.205 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.08 -11.51 42.33 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.472 1.108 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 41.5 mtp180 -151.49 105.08 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.425 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 15.4 m -78.13 80.53 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.784 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 64.5 mt -45.42 -50.91 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 81.85 -7.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.492 ' CA ' HD23 ' A' ' 64' ' ' LEU . . . 140.72 48.69 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 30.7 mt -110.4 176.3 5.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 109.244 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 36.1 m -71.02 150.13 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -68.04 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.6 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -47.71 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.703 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -46.38 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.31 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.7 tt0 -42.14 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -72.63 12.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.572 ' SD ' ' CG2' ' A' ' 66' ' ' VAL . 55.6 ttp -117.79 -14.13 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.6 m -96.39 -58.59 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -67.13 54.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.53 ' HB ' ' CG1' ' A' ' 90' ' ' VAL . 13.4 m -88.93 -53.14 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.35 -73.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -50.07 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.915 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 86' ' ' THR . 1.5 m -137.79 139.67 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.53 ' CG1' ' HB ' ' A' ' 86' ' ' THR . 3.7 m -103.89 102.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.544 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 3.0 p -102.15 104.59 15.2 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -119.12 164.07 16.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.176 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.2 tt0 -108.76 107.86 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG2' HG13 ' A' ' 13' ' ' ILE . 23.1 m -127.87 161.51 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 10' ' ' PRO . . . -122.68 132.55 54.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.637 1.211 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.34 165.77 17.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 61.64 131.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.51 -110.36 0.35 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.513 1.133 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 173.69 -60.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 0.769 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -41.67 125.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 CA--C 1.538 0.509 0 CA-C-O 122.364 1.078 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.45 135.83 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.604 157.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mt -132.44 146.44 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -134.47 143.3 47.42 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.812 -1.18 . . . . 0.0 110.96 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG1' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -139.02 95.36 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 122.07 0.938 . . . . 0.0 109.399 -161.247 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -75.95 154.15 36.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.335 1.454 . . . . 0.0 112.869 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.13 49.52 1.11 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.998 1.319 . . . . 0.0 112.014 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -36.36 -36.8 0.11 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 128.326 2.65 . . . . 0.0 116.714 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -132.78 23.71 4.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.324 1.85 . . . . 0.0 112.564 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 52.24 -13.04 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 129.934 3.294 . . . . 0.0 119.833 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.05 46.35 0.1 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.83 2.452 . . . . 0.0 114.565 -174.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 179.92 2.64 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.756 -1.215 . . . . 0.0 112.665 -164.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 mtp -71.43 -49.47 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.62 -1.517 . . . . 0.0 111.703 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 61.01 5.23 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.472 0.558 . . . . 0.0 112.281 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.07 172.2 12.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.71 1.204 . . . . 0.0 110.082 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -140.86 124.17 16.66 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 120.006 -1.683 . . . . 0.0 109.315 -176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.32 152.49 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.986 1.314 . . . . 0.0 110.18 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.1 t -136.39 127.56 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.336 1.454 . . . . 0.0 107.928 173.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.96 164.02 13.08 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 122.177 0.989 . . . . 0.0 111.066 165.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 C-N-CA 124.492 1.117 . . . . 0.0 109.504 164.341 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.253 0 N-CA-C 114.343 0.497 . . . . 0.0 114.343 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mt -147.48 149.14 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.145 1.378 . . . . 0.0 108.906 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -145.88 137.09 24.75 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.567 1.147 . . . . 0.0 111.27 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.07 99.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.373 1.069 . . . . 0.0 108.364 162.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.3 -38.85 92.51 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.72 -0.613 . . . . 0.0 111.382 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.3 p -172.25 173.51 4.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.106 0.963 . . . . 0.0 112.769 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.8 m -74.72 166.86 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.379 148.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.18 13.15 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 120.162 1.346 . . . . 0.0 112.717 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 58.24 35.52 25.01 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.022 -1.049 . . . . 0.0 111.727 168.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.68 36.05 0.04 OUTLIER Glycine 0 CA--C 1.54 1.646 0 N-CA-C 116.671 1.428 . . . . 0.0 116.671 -172.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -147.89 167.83 28.79 Favored Glycine 0 N--CA 1.476 1.348 0 CA-C-N 119.946 1.873 . . . . 0.0 113.982 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.58 82.77 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.214 -1.168 . . . . 0.0 113.518 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.01 -26.43 33.85 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.614 0.766 . . . . 0.0 111.983 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -60.6 3.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.254 1.021 . . . . 0.0 111.718 164.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.67 -30.37 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -120.69 -12.55 8.85 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -89.35 -34.12 8.9 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 121.508 -0.745 . . . . 0.0 113.62 166.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtm-85 47.83 43.54 17.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.479 1.512 . . . . 0.0 113.317 171.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.15 153.91 17.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.725 1.21 . . . . 0.0 111.804 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.8 143.77 26.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.635 1.207 . . . . 0.0 111.746 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 125.51 23.04 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.414 -0.804 . . . . 0.0 109.629 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 -4.21 48.15 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.536 1.541 . . . . 0.0 116.07 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.36 112.13 2.3 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.656 1.728 . . . . 0.0 111.71 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.82 94.37 2.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.899 1.28 . . . . 0.0 111.064 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.25 143.77 55.14 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.307 1.843 . . . . 0.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -133.3 -37.15 0.97 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.979 1.712 . . . . 0.0 112.993 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -136.89 166.18 24.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.817 1.247 . . . . 0.0 112.072 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.23 158.45 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.406 1.482 . . . . 0.0 111.133 -164.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -51.87 132.35 31.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.933 0.873 . . . . 0.0 112.459 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.57 -2.87 0.71 Allowed Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -173.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -141.82 94.31 2.66 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.275 2.037 . . . . 0.0 112.122 -172.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -62.81 65.47 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.612 2.365 . . . . 0.0 114.363 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -61.95 -27.89 69.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.696 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.277 21.4 m 45.8 -1.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 130.063 3.345 . . . . 0.0 118.406 -167.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.68 38.48 0.02 OUTLIER Glycine 0 CA--C 1.539 1.552 0 CA-C-N 120.075 1.307 . . . . 0.0 116.025 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.62 149.9 48.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.938 1.869 . . . . 0.0 113.276 -172.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -67.02 155.79 37.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -161.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -57.43 -26.95 61.94 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -168.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -59.53 -13.95 11.08 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -122.2 22.09 10.26 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.755 0.822 . . . . 0.0 111.966 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.24 -50.85 0.22 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.07 69.17 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.397 -1.44 . . . . 0.0 113.065 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -54.53 -34.42 61.74 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 113.779 167.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.1 -55.34 4.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.05 0.94 . . . . 0.0 109.747 170.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.4 mtm -51.56 -34.76 38.2 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.7 m -64.3 -32.13 73.61 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.283 -0.886 . . . . 0.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -83.51 -9.91 58.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 m -30.48 -51.48 0.15 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 128.12 2.568 . . . . 0.0 116.761 -172.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 58.61 -17.62 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.6 p -143.18 -40.82 0.31 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -165.38 127.66 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 119.957 1.253 . . . . 0.0 110.806 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 117.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 165.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.8 p -74.84 144.08 43.61 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.174 -0.954 . . . . 0.0 108.953 148.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.5 mt -145.19 169.17 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.573 2.349 . . . . 0.0 108.57 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -136.67 129.42 30.63 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.481 1.112 . . . . 0.0 108.157 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.2 m -142.8 165.11 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.865 0.866 . . . . 0.0 112.933 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 125.115 1.366 . . . . 0.0 112.05 174.663 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 18.7 tt -79.06 125.97 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.718 HG13 HG22 ' A' ' 94' ' ' VAL . 2.4 mm -114.16 149.3 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.62 ' CB ' HG22 ' A' ' 91' ' ' THR . 5.4 t -128.86 125.81 38.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.6 t -111.46 134.86 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -108.41 154.49 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -94.35 107.3 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -89.8 -57.6 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -75.22 -1.3 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.3 33.87 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.766 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -95.45 158.04 15.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -29.24 -61.9 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.518 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 162.92 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.519 0.776 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.09 49.27 22.39 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.838 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -113.18 159.11 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.4 m -145.37 108.86 4.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.888 HD11 ' NE2' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -131.59 175.2 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 29' ' ' ALA . 75.2 t -149.87 167.76 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.549 ' N ' HG12 ' A' ' 28' ' ' VAL . . . -150.76 116.76 5.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.932 HG21 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -94.85 150.54 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.382 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -145.33 164.81 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.94 118.8 59.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.2 ttmt -74.09 -48.46 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 3.1 p 156.69 173.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.838 HG12 ' CD2' ' A' ' 25' ' ' LEU . 19.3 m -89.56 128.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -39.49 -31.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 8.8 tptt 86.51 27.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.369 1.043 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.483 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -162.43 45.6 0.35 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.67 164.09 27.12 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.78 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -63.13 -58.72 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -68.91 -15.32 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -71.41 -51.78 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -80.21 -49.5 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 31.7 t70 -60.98 -50.57 72.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -63.39 -54.75 29.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 55.91 45.02 24.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.257 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.549 HD12 HD11 ' A' ' 25' ' ' LEU . 66.1 mt -69.41 148.39 49.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.37 161.16 22.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 44' ' ' SER . . . -91.15 119.26 31.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 109.05 43.66 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -103.81 120.77 41.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 4.6 tt0 -74.0 109.68 7.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.932 HD23 HG21 ' A' ' 40' ' ' ILE . 3.9 tp -94.76 155.91 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.623 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -147.72 -37.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.09 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.513 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 1.4 p -105.83 149.43 26.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.029 HG21 ' HB1' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -122.66 154.58 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.49 ' CA ' ' O ' ' A' ' 91' ' ' THR . 28.1 t0 -69.98 109.56 4.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.421 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 120.41 -23.54 7.99 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -151.11 125.33 9.35 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.617 0.834 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.743 ' O ' HG13 ' A' ' 72' ' ' VAL . 19.3 m -75.49 76.17 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.918 HD13 ' HB ' ' A' ' 66' ' ' VAL . 8.5 mp -54.71 -56.05 23.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.01 -6.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.426 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 148.15 55.9 0.02 OUTLIER Glycine 0 CA--C 1.527 0.841 0 O-C-N 124.554 1.159 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.693 ' CB ' HD23 ' A' ' 71' ' ' LEU . 12.5 mt -118.77 174.52 6.23 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.371 0.689 . . . . 0.0 109.198 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.46 160.24 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.888 ' NE2' HD11 ' A' ' 27' ' ' ILE . 6.0 mm100 -84.71 -16.38 41.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -39.04 -63.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -49.87 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.029 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -48.75 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -22.48 -67.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -41.29 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.736 ' O ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -56.21 -16.86 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.991 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.7 -3.65 35.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 111.056 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' ' O ' ' A' ' 80' ' ' ALA . 85.6 m -87.07 -57.72 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.375 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -67.37 59.41 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 110.158 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 89' ' ' VAL . 1.4 m -87.45 -56.89 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 1.051 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 26.32 74.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.929 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 153.71 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.916 ' O ' HG23 ' A' ' 86' ' ' THR . 4.4 p -157.73 136.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.909 HG22 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -117.68 99.53 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.799 ' C ' HD23 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -93.18 107.82 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.887 HD22 ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.22 152.41 51.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 63' ' ' LEU . 17.1 tt0 -99.35 127.48 45.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.232 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.718 HG22 HG13 ' A' ' 13' ' ' ILE . 5.4 m -126.43 167.74 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.02 118.93 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.809 HG21 ' CD2' ' A' ' 57' ' ' LEU . 14.1 mm -108.48 156.86 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.799 ' HB ' HG22 ' A' ' 91' ' ' THR . 1.7 t -136.73 139.08 41.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.041 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -127.29 108.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.629 1.206 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.443 ' N ' HG23 ' A' ' 89' ' ' VAL . 18.9 m -88.26 153.34 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -87.89 92.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -76.86 -62.22 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.62 -3.55 56.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.652 ' HA ' HD13 ' A' ' 17' ' ' LEU . 27.5 mt-30 52.19 41.52 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.822 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.6 t-20 -91.35 36.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 80.91 -58.11 4.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.557 1.16 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.694 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.41 -76.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' C ' ' OD1' ' A' ' 52' ' ' ASP . . . 99.65 -8.61 60.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.391 1.057 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.557 HD22 HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -63.36 155.11 29.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.743 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -143.81 106.36 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 109.972 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.649 HD12 HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -126.26 167.57 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 56.0 t -150.83 161.7 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -132.91 146.84 52.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.957 HG21 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -102.88 147.72 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.243 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 68.6 m-85 -148.22 158.33 44.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 73.9 t -97.04 123.95 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.586 ' O ' ' HB1' ' A' ' 59' ' ' ALA . 5.1 tttm -74.01 -63.51 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 34.9 p 177.44 176.21 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.557 HG12 HD22 ' A' ' 25' ' ' LEU . 12.6 m -101.38 127.56 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 2.4 t -41.2 -28.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 9.3 tptt 74.22 32.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.33 28.33 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -120.34 177.95 16.42 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.822 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -69.09 -66.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 0.762 . . . . 0.0 109.208 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.041 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -71.87 -4.47 28.24 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' N ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -79.8 -51.73 8.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 49' ' ' GLY . 17.4 t -80.35 -32.77 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -79.79 -56.2 4.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.36 -56.98 16.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.94 43.37 30.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.809 ' CD2' HG21 ' A' ' 13' ' ' ILE . 10.1 mt -71.27 169.91 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.81 148.97 23.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -92.64 116.1 28.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 115.79 22.09 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 8.5 m-20 -74.77 170.8 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HG2' HD21 ' A' ' 64' ' ' LEU . 12.4 tt0 -120.67 109.17 14.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.957 HD23 HG21 ' A' ' 40' ' ' ILE . 2.3 tp -85.34 155.54 21.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -140.57 -43.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.631 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.21 168.1 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.766 HG21 ' HB1' ' A' ' 79' ' ' ALA . 7.2 p -126.76 167.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.526 ' CA ' ' O ' ' A' ' 91' ' ' THR . 48.0 t0 -70.19 131.13 43.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.32 -12.42 45.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.492 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 19.3 mtp85 -150.47 111.01 4.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.791 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.671 ' O ' HG13 ' A' ' 72' ' ' VAL . 71.3 m -81.13 85.93 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.951 ' O ' HG22 ' A' ' 72' ' ' VAL . 2.2 mt -57.39 -53.07 62.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.687 1.242 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.14 -5.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 144.76 47.25 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 40' ' ' ILE . 17.2 mt -108.49 173.2 6.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 0.799 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.57 149.66 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.085 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.7 pm0 -65.47 -12.44 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.21 -66.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.766 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.13 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.66 -84.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' A' ' 83' ' ' MET . 16.4 tt0 -45.81 -65.75 0.5 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.538 1.149 . . . . 0.0 110.196 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.627 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -71.15 11.34 0.43 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.751 ' SD ' HG23 ' A' ' 66' ' ' VAL . 48.1 ttp -117.82 -18.83 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.9 m -87.96 -53.34 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.97 59.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.775 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.87 -56.87 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.0 m 66.28 -59.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.155 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -73.13 -81.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.918 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 86' ' ' THR . 13.1 p -144.92 155.16 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -115.05 92.23 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.799 HG22 ' HB ' ' A' ' 14' ' ' THR . 5.7 p -94.27 109.02 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.432 1.082 . . . . 0.0 110.352 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.671 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -129.48 157.08 42.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.422 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.567 ' CG2' ' CG1' ' A' ' 13' ' ' ILE . 16.5 m -117.09 164.0 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 12' ' ' ILE . 1.1 tt -89.35 113.63 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.526 HD12 ' CG2' ' A' ' 94' ' ' VAL . 2.5 mt -112.41 149.3 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.805 ' CB ' HG22 ' A' ' 91' ' ' THR . 59.6 p -123.54 110.8 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.62 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -96.16 114.9 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.63 ' HA ' HG23 ' A' ' 89' ' ' VAL . 25.7 m -93.47 161.8 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.807 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -97.36 105.66 17.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -56.28 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -75.54 -2.4 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 55.52 34.61 23.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.358 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.807 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -98.44 159.11 15.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -28.21 -61.95 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.58 -56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 69.83 57.35 7.21 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.428 1.08 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.623 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -121.19 162.12 20.7 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.412 0.713 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t -145.69 115.42 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.651 HD13 ' HE3' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.15 170.71 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 p -152.7 150.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.799 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -124.72 145.77 49.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.932 HG21 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -101.57 148.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 61.8 m-85 -150.2 165.54 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.02 121.54 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.2 OUTLIER -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.389 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.9 p 157.05 174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.623 HG12 ' CD2' ' A' ' 25' ' ' LEU . 21.1 m -92.43 127.4 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.504 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 18.2 t -41.45 -33.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 2.9 tptt 86.84 22.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.9 49.06 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -145.81 166.74 27.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.807 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -63.56 -56.27 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.62 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -68.48 -24.23 64.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.397 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -61.76 -52.67 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -80.98 -56.34 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.68 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.47 -57.2 10.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 55.42 45.13 25.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 110.188 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.5 mt -69.75 159.52 33.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.96 146.32 28.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.558 1.161 . . . . 0.0 109.201 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.82 114.82 26.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.0 18.25 4.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 32.8 m-20 -73.93 171.32 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 51.6 tt0 -120.92 107.42 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.932 HD23 HG21 ' A' ' 40' ' ' ILE . 2.0 tp -86.78 154.16 21.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -143.85 -42.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -116.08 167.17 11.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.84 HG23 ' SD ' ' A' ' 83' ' ' MET . 10.9 p -129.15 165.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.424 1.077 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.539 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.1 p-10 -71.13 127.35 32.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.488 ' HA3' ' CZ ' ' A' ' 69' ' ' ARG . . . 88.69 -16.21 54.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.77 ' NH1' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -145.4 117.42 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.624 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.5 m -85.06 82.46 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.626 1.204 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.974 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.7 mt -58.47 -53.52 57.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.18 -6.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.408 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 144.44 55.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.617 1.198 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.677 ' O ' HD11 ' A' ' 40' ' ' ILE . 24.5 mt -116.95 173.81 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.8 m -71.73 147.39 47.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.799 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -66.25 -9.98 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.631 1.207 . . . . 0.0 110.354 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' N ' HE21 ' A' ' 76' ' ' GLN . 50.0 mt-10 -43.36 -76.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -50.52 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.783 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.96 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.7 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -0.41 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.6 tt0 -42.88 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.77 HD12 ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -71.36 12.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.84 ' SD ' HG23 ' A' ' 66' ' ' VAL . 59.6 ttp -120.76 -14.32 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.075 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 80' ' ' ALA . 2.2 m -91.23 -52.32 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -67.77 53.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.213 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.834 ' OG1' HG13 ' A' ' 90' ' ' VAL . 1.8 m -89.62 -55.46 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.455 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER 31.46 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 152.81 -51.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.052 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.63 HG23 ' HA ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -177.24 122.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.834 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -113.77 101.48 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.824 ' C ' HD23 ' A' ' 92' ' ' LEU . 20.1 p -95.95 112.72 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.824 HD23 ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.13 153.76 44.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' CB ' ' OG ' ' A' ' 65' ' ' SER . 4.6 tt0 -96.49 107.7 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.526 ' CG2' HD12 ' A' ' 13' ' ' ILE . 26.2 m -113.36 163.7 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.307 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 12' ' ' ILE . 7.5 tt -90.36 108.95 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.756 HG12 HG22 ' A' ' 94' ' ' VAL . 2.6 mm -94.26 151.25 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.415 ' HB ' HG22 ' A' ' 91' ' ' THR . 3.5 t -138.56 117.09 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.607 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -112.05 148.72 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.713 HG23 HG12 ' A' ' 89' ' ' VAL . 22.5 m -125.32 148.4 48.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -77.2 101.94 6.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.63 -50.89 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -5.04 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.492 ' HA ' HD13 ' A' ' 17' ' ' LEU . 53.3 mt-30 54.0 40.07 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.813 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -91.52 36.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.137 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 76.95 -53.28 3.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.408 1.067 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.696 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.65 -79.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.054 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 86.32 57.65 2.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.599 ' CD2' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -124.46 166.48 15.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -148.04 121.37 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.078 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.539 HD13 HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -139.19 174.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.215 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.2 p -152.22 170.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' CB ' ' H ' ' A' ' 76' ' ' GLN . . . -142.89 146.29 33.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 109.385 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.813 HG21 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -107.08 147.22 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 55.2 m-85 -149.62 165.3 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 15.5 t -104.24 124.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 ttmm -73.87 -43.13 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.8 t 152.19 175.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 25' ' ' LEU . 18.8 m -87.56 131.75 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 13.7 t -45.94 -25.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 77.4 101.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.53 12.6 11.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -95.16 174.62 32.72 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.813 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -74.01 -58.03 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 0.818 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -76.41 -9.17 58.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.712 ' OD2' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -80.0 -53.69 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.712 HG23 ' OD2' ' A' ' 52' ' ' ASP . 99.4 t -75.89 -33.64 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -78.72 -48.77 14.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.59 -49.68 35.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.4 1.062 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 55.45 45.44 25.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 0.769 . . . . 0.0 110.267 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.99 163.73 23.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.344 1.027 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.25 162.96 12.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 109.261 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 44' ' ' SER . . . -92.74 122.34 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.447 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.52 6.17 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.408 1.068 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -73.73 114.93 12.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.635 0.844 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 10.6 tt0 -74.17 110.11 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.361 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -88.8 153.59 20.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 71' ' ' LEU . 1.3 mt -143.62 -40.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.505 ' OG ' ' HA ' ' A' ' 70' ' ' SER . 4.3 m -119.64 168.9 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.088 HG22 HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -121.26 -175.24 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.443 1.09 . . . . 0.0 109.427 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 91' ' ' THR . 63.1 t0 -65.33 113.64 4.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.96 13.42 8.48 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -129.71 72.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.362 0.683 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.505 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 2.5 p -63.05 115.37 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.088 HD11 HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -104.11 -33.49 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.904 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.23 -6.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 64' ' ' LEU . . . 140.33 59.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.382 1.051 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 57.1 mt -108.42 172.81 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.756 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 163.63 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -69.01 -12.11 61.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.04 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -51.03 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -51.16 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -8.19 -77.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' A' ' 83' ' ' MET . 18.0 tt0 -39.95 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -71.64 12.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.853 ' SD ' HG13 ' A' ' 66' ' ' VAL . 20.2 ttp -119.21 -6.17 10.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.0 m -106.64 -49.5 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -64.13 60.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.387 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.786 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -84.23 -52.88 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.1 m 34.59 57.86 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 159.17 -68.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.713 HG12 HG23 ' A' ' 16' ' ' THR . 3.3 m -149.13 149.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.786 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -119.51 101.93 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.063 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -101.79 136.41 41.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.063 HD23 ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -162.67 154.6 18.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.3 tt0 -95.54 109.41 21.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.756 HG22 HG12 ' A' ' 13' ' ' ILE . 19.1 m -120.53 170.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.439 HD13 ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -96.56 129.28 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 94' ' ' VAL . 1.4 mt -119.28 150.09 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.594 1.184 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.77 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.0 p -127.42 115.99 19.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.388 1.055 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.778 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.2 106.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -87.07 159.87 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -92.25 105.01 17.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -86.76 -52.84 5.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -95.44 -3.23 47.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.783 ' HA ' HD13 ' A' ' 17' ' ' LEU . 4.0 mt-30 52.2 41.04 30.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.863 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 57.3 t-20 -96.84 55.97 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 68.08 -72.72 0.29 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.955 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.37 -63.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 96.13 -14.07 65.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -57.9 152.35 16.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 m -144.85 108.94 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.904 HD12 HD22 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -126.97 170.22 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.41 156.62 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.307 1.004 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -125.8 136.84 53.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.268 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.975 HG21 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -100.03 141.73 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 56.1 m-85 -147.62 163.28 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -100.62 123.19 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -75.13 -48.6 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.6 p 158.28 178.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 52' ' ' ASP . 19.1 t -100.19 144.02 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.646 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -58.87 -44.08 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 12.8 tptt 99.93 20.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.61 43.04 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -133.75 169.0 23.0 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.863 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -66.13 -63.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 0.755 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -70.01 -4.7 22.07 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.531 1.145 . . . . 0.0 109.394 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.567 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -78.04 -54.09 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 t -79.97 -30.78 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.61 -57.07 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.44 -59.92 8.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 55.59 44.15 27.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD1' HD11 ' A' ' 25' ' ' LEU . 5.5 mt -71.77 171.2 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.54 148.8 21.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.69 118.35 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.62 18.65 4.77 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 35.9 m-20 -74.7 170.7 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 38.4 tt0 -122.16 108.13 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.975 HD23 HG21 ' A' ' 40' ' ' ILE . 2.1 tp -86.18 153.78 21.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.83 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.2 mt -144.46 -39.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.87 165.44 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.84 HG21 ' HB1' ' A' ' 79' ' ' ALA . 7.1 p -129.46 166.4 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.559 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -71.06 129.09 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.408 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.74 -12.31 59.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 13.6 mtp180 -149.26 113.46 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 0.808 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.81 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.9 m -82.0 78.03 8.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.833 HD22 ' HB2' ' A' ' 74' ' ' LEU . 3.7 mt -52.21 -58.02 7.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 70' ' ' SER . 4.0 t 84.34 -9.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.466 ' C ' HD23 ' A' ' 74' ' ' LEU . . . 150.18 46.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.833 ' HB2' HD22 ' A' ' 71' ' ' LEU . 10.7 mt -107.45 172.22 6.95 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.54 0.788 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.43 146.95 44.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.417 1.073 . . . . 0.0 109.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -64.18 -10.27 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -42.57 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.84 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.71 -85.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.698 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 0.49 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.2 tt0 -43.94 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.26 12.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.76 ' SD ' HG23 ' A' ' 66' ' ' VAL . 50.0 ttp -119.75 -17.7 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.5 m -89.44 -55.41 3.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -66.1 60.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.81 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.67 -57.55 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 86' ' ' THR . 0.5 OUTLIER 66.01 -58.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.011 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 86' ' ' THR . 5.4 m -71.06 -80.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 86' ' ' THR . 5.6 p -146.64 152.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.955 HG11 ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -115.61 94.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.77 HG22 ' CB ' ' A' ' 14' ' ' THR . 6.9 p -97.54 109.51 22.25 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.407 1.067 . . . . 0.0 110.467 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.723 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -130.31 159.42 37.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.203 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.55 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 13' ' ' ILE . 5.4 m -117.51 158.87 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.221 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.767 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 120.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.767 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -107.27 148.81 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 91' ' ' THR . 74.4 p -132.58 114.41 14.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 51' ' ' ALA . 3.4 t -113.04 125.12 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.755 ' OG1' HG23 ' A' ' 89' ' ' VAL . 88.7 m -102.2 138.56 38.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.895 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.94 106.51 0.83 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -91.3 -50.58 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -86.19 -7.22 58.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 52.22 40.58 29.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.48 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 10.5 t30 -93.19 52.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' HD11 ' A' ' 17' ' ' LEU . . . 67.63 -59.01 0.32 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 168.93 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 89.48 32.62 10.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.0 mt -108.81 152.25 25.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 0.706 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -137.98 108.22 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.062 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.6 170.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.0 t -151.42 157.82 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 76' ' ' GLN . . . -139.47 133.66 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 41' ' ' TYR . 4.6 mt -109.73 166.39 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 69.3 m-85 -160.98 162.79 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -106.72 117.94 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.94 -52.91 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.625 1.203 . . . . 0.0 109.374 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 169.04 173.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 25' ' ' LEU . 17.2 m -101.48 135.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -40.37 -32.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 86.99 7.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -153.38 37.37 0.74 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.458 1.099 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -120.36 175.55 15.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.895 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -70.75 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 0.812 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . . . -67.54 -20.6 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.54 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -66.62 -52.74 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.512 HG23 ' OD2' ' A' ' 52' ' ' ASP . 46.5 t -78.53 -58.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.84 -52.59 56.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.265 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -66.17 -53.68 28.32 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.579 1.175 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 55.42 44.78 26.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 13' ' ' ILE . 12.0 mt -70.59 155.98 40.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.6 151.77 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -96.02 114.13 25.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.73 28.33 2.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.0 m-20 -92.73 157.11 16.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 109.352 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' ALA . 8.5 tt0 -101.84 116.84 33.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.045 HD11 ' HB3' ' A' ' 92' ' ' LEU . 1.5 tp -101.64 158.11 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.645 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -147.64 -32.58 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.619 1.2 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -111.44 152.35 27.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.4 OUTLIER -126.26 163.96 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.13 124.76 24.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 82' ' ' LEU . . . 91.59 -14.19 64.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.544 ' HB2' HG12 ' A' ' 66' ' ' VAL . 4.5 mtt180 -147.6 104.4 3.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.351 0.677 . . . . 0.0 110.364 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.508 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 16.5 m -73.16 61.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.751 ' O ' HG12 ' A' ' 72' ' ' VAL . 10.7 mp -37.99 -65.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 87.97 -10.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.24 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 64' ' ' LEU . . . 157.04 51.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.646 1.216 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.668 ' CB ' HD23 ' A' ' 71' ' ' LEU . 12.1 mt -120.87 172.36 7.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 0.817 . . . . 0.0 109.384 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 158.04 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 16.2 pt20 -82.61 -15.22 52.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 78' ' ' ARG . 1.2 tt0 -40.19 -55.53 2.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.626 HH12 HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -84.82 -56.06 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.729 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -45.98 -65.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.619 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -32.25 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.64 1.213 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 84' ' ' THR . 19.0 tt0 -36.27 -72.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.895 ' O ' HD13 ' A' ' 82' ' ' LEU . 1.7 tm? -44.85 -28.0 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.933 ' SD ' HD21 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -87.22 -30.35 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -52.35 -52.59 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.181 . . . . 0.0 110.481 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -70.58 57.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -82.17 -52.12 7.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 5.02 74.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.3 m 156.45 -47.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.755 HG23 ' OG1' ' A' ' 16' ' ' THR . 2.3 p -176.73 139.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.667 ' HB ' HG21 ' A' ' 86' ' ' THR . 1.4 p -131.27 146.66 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.927 ' C ' HD12 ' A' ' 92' ' ' LEU . 80.2 p -152.84 145.67 24.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.045 ' HB3' HD11 ' A' ' 63' ' ' LEU . 1.2 mp -151.45 164.97 35.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.631 1.207 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 15.2 tt0 -109.95 113.46 26.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.519 HG12 HD12 ' A' ' 63' ' ' LEU . 9.7 m -104.5 162.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.175 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.206 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' C ' HD13 ' A' ' 13' ' ' ILE . 18.1 tt -85.05 111.38 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.723 ' CG1' HG22 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -99.9 142.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.802 ' CB ' HG22 ' A' ' 91' ' ' THR . 0.5 OUTLIER -119.18 111.07 17.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -106.73 115.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.756 ' OG1' HG23 ' A' ' 89' ' ' VAL . 10.6 m -100.76 151.33 21.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.864 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -77.9 119.53 21.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -99.16 -49.77 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -93.77 -3.83 51.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 17' ' ' LEU . 6.7 mt-30 54.89 40.6 32.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.837 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 34.0 t-20 -90.1 43.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.416 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 72.02 -56.45 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.615 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.0 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 0.707 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 79.88 58.73 2.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.583 ' CD2' HG12 ' A' ' 45' ' ' VAL . 1.8 mt -124.28 159.77 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -144.51 109.18 4.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -131.41 171.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 p -151.44 159.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.824 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -139.22 127.83 23.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.063 HG21 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -106.59 145.29 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 55.6 m-85 -148.1 160.94 42.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 t -99.26 123.23 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' SER . 20.9 tptt -74.32 -51.32 15.55 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 168.11 173.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.959 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 25' ' ' LEU . 17.0 m -97.18 135.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.38 1.05 . . . . 0.0 109.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.505 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.4 t -39.75 -33.07 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.338 1.024 . . . . 0.0 109.284 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 14.0 tptt 86.81 5.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -149.99 36.18 0.97 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -119.63 174.46 15.49 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.864 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -73.74 -54.97 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -73.99 -11.32 60.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.202 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -78.92 -52.9 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' GLY . 22.7 t -80.34 -32.72 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 30.7 t70 -80.14 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.46 -50.61 63.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 55.47 46.0 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 0.708 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.7 mt -68.79 155.79 39.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.376 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.98 143.68 28.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.9 118.46 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.95 16.9 5.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 12.4 m-20 -73.61 170.86 14.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 38.0 tt0 -123.18 109.13 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.339 1.025 . . . . 0.0 110.223 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.063 HD23 HG21 ' A' ' 40' ' ' ILE . 1.7 tp -87.33 156.91 19.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -144.5 -40.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.723 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.34 166.05 14.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.837 HG12 ' O ' ' A' ' 69' ' ' ARG . 9.3 p -128.15 169.82 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.519 ' CA ' ' O ' ' A' ' 91' ' ' THR . 60.7 t0 -70.21 135.14 48.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.32 8.23 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.837 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.2 mtt85 -153.44 85.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -69.5 91.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.978 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -71.12 -51.76 23.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.978 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.08 -6.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.379 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 145.52 55.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.642 ' O ' HD11 ' A' ' 40' ' ' ILE . 18.8 mt -120.27 173.02 7.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 152.7 41.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.21 -8.56 32.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 36.6 mt-10 -40.9 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -59.57 4.78 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.808 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -47.24 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.719 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.4 -81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.6 tt0 -42.96 -68.04 0.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.776 HD13 ' NE ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -73.98 13.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.71 ' SD ' HG23 ' A' ' 66' ' ' VAL . 50.5 ttp -118.55 -13.43 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.4 m -97.64 -56.9 2.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -67.64 56.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 110.386 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.875 ' CB ' HG13 ' A' ' 90' ' ' VAL . 31.6 m -87.13 -54.39 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.2 m 32.42 82.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 87' ' ' SER . 2.1 t 151.26 -55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.955 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.756 HG23 ' OG1' ' A' ' 16' ' ' THR . 5.3 p -174.5 120.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.875 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -104.06 98.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.138 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' CB ' ' A' ' 14' ' ' THR . 3.3 p -95.19 109.85 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.514 HD23 ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -124.01 157.14 35.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 7.5 tm-20 -104.23 115.33 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.582 1.176 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.723 HG22 ' CG1' ' A' ' 13' ' ' ILE . 16.9 m -115.6 170.2 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.373 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tt -85.6 117.5 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.067 HD11 HG22 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -118.08 150.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.437 ' CB ' HG23 ' A' ' 91' ' ' THR . 11.2 t -127.56 134.7 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.939 HG13 HG23 ' A' ' 90' ' ' VAL . 12.3 p -123.1 156.38 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 1.025 HG23 HG23 ' A' ' 89' ' ' VAL . 10.6 m -136.63 140.33 42.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -58.11 87.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -74.72 -60.41 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -6.4 57.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 17' ' ' LEU . 6.5 mt-30 52.83 41.26 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.299 0.999 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.541 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.1 t30 -100.93 54.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 67.84 -60.02 0.35 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.472 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 167.27 -70.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.636 0.845 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' HA2' HG21 ' A' ' 46' ' ' VAL . . . 74.63 74.34 0.87 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 25' ' ' LEU . 13.4 mt -140.65 160.51 39.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.438 0.728 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.46 110.49 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.055 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.52 168.02 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -151.09 142.71 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.871 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -131.89 129.54 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.204 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.033 HG21 HD23 ' A' ' 63' ' ' LEU . 1.7 mt -101.91 164.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.525 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 54.3 m-85 -157.97 172.86 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 55.4 t -112.32 118.05 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -74.96 -45.46 42.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 p 159.96 172.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 5.7 m -95.92 144.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.6 t -50.14 -30.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 18.4 tptt 87.55 8.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.34 38.28 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -126.87 176.08 17.8 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.11 -71.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.803 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -56.16 -34.6 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.93 -54.64 27.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.483 HG23 ' OD2' ' A' ' 52' ' ' ASP . 62.2 t -80.83 -70.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.624 1.203 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -45.93 -61.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -55.45 -56.58 22.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.65 44.19 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.51 154.38 41.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.232 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 151.29 34.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.21 114.81 27.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 122.99 9.12 6.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.436 1.085 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -74.77 168.41 19.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.525 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 11.3 tt0 -114.05 110.71 20.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.033 HD23 HG21 ' A' ' 40' ' ' ILE . 4.6 tp -91.83 158.66 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.22 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -148.76 -30.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.916 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -114.66 145.86 41.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.95 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -120.32 159.02 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' HB2' ' CB ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -70.94 113.29 7.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 109.203 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.45 -15.57 27.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 71' ' ' LEU . 1.8 mtp85 -151.21 112.29 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.235 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.978 ' O ' HG23 ' A' ' 72' ' ' VAL . 50.3 m -71.05 59.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 79' ' ' ALA . 9.9 mp -37.81 -65.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 70' ' ' SER . 38.4 t 71.8 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.523 ' HA2' ' CD1' ' A' ' 64' ' ' LEU . . . 167.49 51.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 9.7 mt -130.57 169.89 14.99 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 0.787 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.81 162.46 22.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 6.0 pt20 -82.84 -10.93 58.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.06 -61.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.502 HH12 HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -82.42 -48.41 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.321 1.013 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.847 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -51.2 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -27.01 -63.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.98 -69.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -59.18 -11.96 4.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.95 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.62 -11.46 22.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 80' ' ' ALA . 32.0 m -83.03 -56.01 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -67.61 58.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 89' ' ' VAL . 1.2 m -86.74 -56.21 3.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 26.81 71.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 156.94 -66.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.025 HG23 HG23 ' A' ' 16' ' ' THR . 0.3 OUTLIER -154.57 137.83 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.939 HG23 HG13 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -120.48 162.77 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.496 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -151.12 136.35 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' A' ' 63' ' ' LEU . 5.1 mp -150.62 135.73 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.4 tt0 -102.8 108.6 19.89 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.067 HG22 HD11 ' A' ' 13' ' ' ILE . 2.9 m -100.32 166.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -90.57 113.67 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 94' ' ' VAL . 4.1 mm -110.57 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.716 ' CB ' HG22 ' A' ' 91' ' ' THR . 1.5 t -134.18 131.53 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -120.89 108.23 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.2 m -92.08 146.77 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.937 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -74.59 104.83 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.62 -52.25 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -97.88 -3.86 37.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.325 1.015 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.831 ' HA ' HD13 ' A' ' 17' ' ' LEU . 37.7 mt-30 52.28 41.94 30.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.851 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 58.6 t-20 -90.64 38.4 0.94 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 88.16 -72.2 2.43 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.425 1.078 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.514 ' HE3' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER 170.68 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.789 ' O ' HG13 ' A' ' 45' ' ' VAL . . . 84.27 58.95 2.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.39 1.057 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.969 HD23 HG22 ' A' ' 45' ' ' VAL . 21.1 mt -130.5 154.73 47.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 109.367 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -144.61 116.17 8.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.052 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.969 HD12 HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -138.82 172.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.223 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 29' ' ' ALA . 74.7 t -152.66 166.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.736 ' HB3' ' HG3' ' A' ' 76' ' ' GLN . . . -138.72 131.5 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.047 HG21 HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -101.98 150.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 58.2 m-85 -150.67 161.8 41.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -102.93 123.19 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.9 tppt? -74.56 -51.55 14.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.3 p 160.79 176.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.969 HG22 HD23 ' A' ' 25' ' ' LEU . 11.2 t -90.42 150.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 14.0 t -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 45' ' ' VAL . 6.0 tptt 94.36 31.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -167.87 48.43 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.41 168.22 25.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.937 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.82 -60.45 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -71.7 -5.68 35.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.725 ' OD1' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -76.77 -54.1 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 t -81.3 -32.3 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.6 -60.55 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -49.78 -57.02 10.2 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.574 1.171 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 55.18 44.64 27.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 0.79 . . . . 0.0 110.222 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.33 157.27 38.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.03 15.05 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.49 117.59 34.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.99 16.29 5.85 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -74.77 116.63 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 0.818 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 25.0 tt0 -73.32 112.02 8.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.047 HD23 HG21 ' A' ' 40' ' ' ILE . 1.7 tp -92.25 154.89 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -147.45 -37.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -111.25 155.19 23.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.844 HG21 ' HB1' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -125.3 161.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.494 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.1 t0 -70.64 123.71 22.52 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.19 72.75 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.9 mtt180 -150.38 118.41 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.8 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.735 ' O ' HG13 ' A' ' 72' ' ' VAL . 24.3 p -82.04 77.27 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.95 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.848 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.9 mp -55.67 -51.52 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER 75.57 -6.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 144.65 55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.799 ' CB ' HD23 ' A' ' 71' ' ' LEU . 14.5 mt -116.82 173.71 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 0.805 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 155.64 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.736 ' HG3' ' HB3' ' A' ' 29' ' ' ALA . 3.3 pp0? -72.68 -6.21 42.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -44.31 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.395 1.06 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -51.08 60.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.201 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.844 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -49.13 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.04 . . . . 0.0 109.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -10.67 -75.34 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.393 1.058 . . . . 0.0 109.42 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 83' ' ' MET . 4.5 tm-20 -43.3 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.04 11.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.692 1.245 . . . . 0.0 109.304 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.803 ' SD ' HG23 ' A' ' 66' ' ' VAL . 45.6 ttp -118.6 -10.0 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -100.21 -47.28 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 ttp-105 -66.53 59.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.912 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.41 -53.68 5.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.466 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 30.99 47.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.937 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 86' ' ' THR . 2.3 m 175.13 -67.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 86' ' ' THR . 12.3 p -152.91 155.34 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.912 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.75 92.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.216 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.716 HG22 ' CB ' ' A' ' 14' ' ' THR . 1.7 p -93.96 110.56 22.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.438 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.685 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -135.4 158.75 43.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.565 ' OE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -100.11 111.46 23.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 13' ' ' ILE . 26.6 m -112.78 169.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.765 ' O ' HD13 ' A' ' 13' ' ' ILE . 9.4 tt -75.74 115.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.765 HD13 ' O ' ' A' ' 12' ' ' ILE . 1.9 mm -124.73 148.65 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.749 HG22 ' CG2' ' A' ' 91' ' ' THR . 39.8 p -120.3 123.53 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.384 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.483 HG11 ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.42 129.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.352 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.701 ' OG1' HG23 ' A' ' 89' ' ' VAL . 21.0 m -120.97 131.05 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -53.01 112.79 0.92 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.07 -47.59 5.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -94.3 -2.97 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 53.01 39.27 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.701 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 53.4 t-20 -92.56 49.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 68.5 -59.66 0.46 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.453 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 166.91 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.36 74.68 0.75 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.588 ' CD2' HG12 ' A' ' 45' ' ' VAL . 3.9 mt -139.9 165.89 26.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.817 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.9 t -147.13 115.18 6.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.38 1.05 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' HE1' ' A' ' 83' ' ' MET . 0.6 OUTLIER -133.23 172.34 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -150.55 142.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.75 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -129.1 125.64 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.327 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.781 HG21 HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -105.08 156.47 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.627 0.839 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 59.7 m-85 -154.65 166.74 32.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.86 120.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.9 tppt? -75.47 -45.58 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.2 p 158.39 173.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.588 HG12 ' CD2' ' A' ' 25' ' ' LEU . 5.0 m -89.7 143.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.49 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 2.7 t -52.7 -23.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.365 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER 78.45 15.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -159.07 40.03 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -133.7 173.68 21.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.886 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.05 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.483 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -57.53 -29.29 64.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -57.34 -53.97 52.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG23 ' OD2' ' A' ' 52' ' ' ASP . 47.7 t -80.75 -64.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -49.76 -61.27 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -54.15 37.38 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 55.53 44.48 26.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.39 152.39 44.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.379 1.049 . . . . 0.0 109.328 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . . . -82.85 164.68 20.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.07 120.72 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.02 19.54 5.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -82.63 118.4 23.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.51 ' OE1' ' HB3' ' A' ' 95' ' ' ALA . 6.0 tt0 -74.31 112.51 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.781 HD23 HG21 ' A' ' 40' ' ' ILE . 2.9 tp -94.58 154.81 17.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.33 -34.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.516 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -113.21 157.01 22.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.089 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.948 HG23 HD13 ' A' ' 71' ' ' LEU . 5.0 t -125.01 173.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.604 ' H ' HG12 ' A' ' 66' ' ' VAL . 45.0 t0 -62.15 136.1 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 46.03 18.9 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 71' ' ' LEU . 12.1 mtp180 -151.26 77.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.408 0.711 . . . . 0.0 110.233 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 65' ' ' SER . 41.9 m -63.29 77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.948 HD13 HG23 ' A' ' 66' ' ' VAL . 8.9 mp -54.31 -52.01 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 85.59 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.478 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 144.77 54.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.708 ' CB ' HD23 ' A' ' 71' ' ' LEU . 14.4 mt -115.0 175.34 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.26 165.07 23.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.938 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.555 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -78.24 -15.6 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 2.0 mm-40 -39.43 -71.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -40.21 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.878 ' HB2' HG21 ' A' ' 66' ' ' VAL . . . -56.02 -91.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.697 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.06 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.9 tt0 -37.68 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -73.2 15.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.81 ' SD ' HG13 ' A' ' 66' ' ' VAL . 42.9 ttp -122.65 -4.77 8.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.455 1.097 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -107.18 -48.23 3.51 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -64.7 60.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.665 ' OG1' HG23 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.56 -54.36 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 30.29 52.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.8 m 164.81 -61.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.701 HG23 ' OG1' ' A' ' 16' ' ' THR . 13.1 p -158.61 140.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.665 HG23 ' OG1' ' A' ' 86' ' ' THR . 0.5 OUTLIER -129.6 112.41 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.749 ' CG2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER -95.46 163.68 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 110.445 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.742 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -168.17 139.57 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.403 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -105.16 107.18 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 4.0 m -104.79 169.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.564 ' C ' HD13 ' A' ' 13' ' ' ILE . 20.6 tt -92.12 129.34 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.671 HG12 HG22 ' A' ' 94' ' ' VAL . 1.6 mm -116.04 145.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.587 HG22 HG22 ' A' ' 91' ' ' THR . 72.1 p -122.54 118.18 27.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.71 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -110.33 109.18 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 m -94.59 153.85 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -83.3 102.29 11.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.394 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -85.76 -52.6 5.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.39 -5.97 53.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.5 mm100 54.08 40.17 31.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.626 1.204 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.829 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 55.4 m-20 -89.21 40.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 78.05 -60.39 3.85 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.158 . . . . 0.0 111.054 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.665 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.33 -70.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 78.91 47.36 7.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.769 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -116.67 161.26 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.2 t -144.32 117.19 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 110.071 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.516 HG12 ' CE ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -124.57 172.14 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 27' ' ' ILE . 47.6 t -153.63 148.64 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -129.33 137.95 51.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.091 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.556 HD11 ' O ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -102.83 138.83 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.611 0.83 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 51.0 m-85 -145.72 156.56 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 9.6 t -89.89 123.52 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 44' ' ' SER . 4.0 tttp -72.96 -43.55 62.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.5 p 151.62 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.624 1.202 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG12 ' CD2' ' A' ' 25' ' ' LEU . 20.8 m -93.66 154.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 55.5 t -71.65 -5.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 2.9 pttt 53.37 30.93 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.96 30.94 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.593 1.183 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -125.53 174.85 17.52 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.851 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -74.27 -62.1 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.71 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -66.79 -10.16 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.605 1.19 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -81.14 -52.67 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.387 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 ' OD2' ' A' ' 52' ' ' ASP . 77.1 t -74.37 -36.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.5 -48.85 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.625 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -67.3 -45.49 79.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 46.91 41.36 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 110.328 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.562 HD12 HD11 ' A' ' 25' ' ' LEU . 11.3 mt -70.22 150.52 46.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.2 162.14 17.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 44' ' ' SER . . . -90.22 123.95 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 9.34 8.54 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.5 m-20 -73.63 115.9 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 10.8 tt0 -73.74 110.48 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.66 152.23 21.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -143.06 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.84 160.62 19.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.569 1.168 . . . . 0.0 110.035 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.74 HG13 ' HB2' ' A' ' 69' ' ' ARG . 13.3 p -129.89 168.65 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' CA ' ' O ' ' A' ' 91' ' ' THR . 57.8 t0 -72.54 128.0 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.59 3.38 86.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.74 ' HB2' HG13 ' A' ' 66' ' ' VAL . 24.1 mtt-85 -152.25 122.45 7.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.76 ' O ' HG13 ' A' ' 72' ' ' VAL . 67.6 m -89.99 70.48 7.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 79' ' ' ALA . 77.7 mt -54.1 -56.9 13.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.902 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.31 -6.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 142.85 52.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.927 ' HB2' HD22 ' A' ' 71' ' ' LEU . 46.3 mt -113.17 175.62 5.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.427 0.722 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.84 153.38 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -65.98 -10.73 42.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.85 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.564 ' NH1' HD13 ' A' ' 74' ' ' LEU . 18.1 mtt180 -52.97 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' ' 71' ' ' LEU . . . -45.59 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.722 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.01 -83.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.4 tt0 -45.55 -64.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.31 11.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.689 ' SD ' HG23 ' A' ' 66' ' ' VAL . 12.2 ttp -117.95 -14.85 10.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.369 1.043 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.7 m -96.42 -51.49 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.368 1.042 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -66.07 63.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.896 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.36 -53.3 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 33.35 58.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.5 OUTLIER 163.54 -66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 86' ' ' THR . 7.7 p -155.6 156.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.896 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.4 89.9 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.587 HG22 HG22 ' A' ' 14' ' ' THR . 2.8 p -91.34 111.77 23.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.451 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.612 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -132.37 156.24 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -102.55 124.63 48.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.671 HG22 HG12 ' A' ' 13' ' ' ILE . 13.2 m -124.8 166.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.211 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -81.52 108.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.556 HG13 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -99.88 149.76 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.713 ' CB ' HG22 ' A' ' 91' ' ' THR . 67.1 p -136.68 141.6 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.362 1.039 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 90' ' ' VAL . 7.3 p -142.35 150.53 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.908 HG22 HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -115.56 154.31 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.385 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD11 ' C ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -75.46 82.62 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -70.6 -64.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.405 1.065 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -71.87 -6.83 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.83 40.47 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' HA2' ' A' ' 49' ' ' GLY . 27.3 m-20 -92.72 29.47 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.817 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 81.3 -49.31 3.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.523 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.28 -78.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 85.15 55.76 2.56 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.548 1.155 . . . . 0.0 111.074 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 25' ' ' LEU . 10.0 mt -126.43 150.04 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -133.63 119.33 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.12 164.5 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -151.07 136.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.701 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -124.41 136.27 53.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.558 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.8 HD11 ' O ' ' A' ' 74' ' ' LEU . 5.7 mt -109.8 167.47 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 65.0 m-85 -163.5 168.11 20.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' ASP . 25.4 t -107.45 120.21 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.396 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.0 tptt -73.96 -43.46 58.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.2 t 154.42 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -88.16 139.71 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -47.43 -31.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 17.7 tptt 90.32 3.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -152.04 43.81 0.66 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -131.2 176.07 19.24 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.24 -70.85 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 0.809 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.678 ' HA ' HG21 ' A' ' 15' ' ' VAL . . . -57.43 -34.28 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.77 -54.72 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.349 1.03 . . . . 0.0 109.204 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.07 -70.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.612 1.195 . . . . 0.0 109.239 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.57 -61.6 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -52.57 48.16 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 55.46 44.67 26.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.89 164.84 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.42 171.96 8.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.53 133.09 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.88 19.43 10.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -84.19 118.92 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 1.4 tt0 -73.88 121.7 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.998 HD11 ' HB2' ' A' ' 92' ' ' LEU . 1.9 tp -101.8 157.29 16.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.804 HD23 ' HA2' ' A' ' 73' ' ' GLY . 5.2 mt -140.14 -38.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.583 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -110.46 156.7 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.937 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.957 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -129.17 158.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.383 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -69.83 125.73 27.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.219 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 -15.71 62.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -150.6 114.43 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.785 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.5 p -81.39 74.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.955 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.31 -54.78 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.955 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.63 -5.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.804 ' HA2' HD23 ' A' ' 64' ' ' LEU . . . 153.23 53.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.531 1.145 . . . . 0.0 111.083 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.8 ' O ' HD11 ' A' ' 40' ' ' ILE . 6.2 mt -125.15 173.26 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.48 ' CB ' ' CD ' ' A' ' 77' ' ' GLU . 3.4 m -73.71 156.01 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.71 HE21 ' N ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -82.48 -11.24 58.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.71 ' N ' HE21 ' A' ' 76' ' ' GLN . 1.9 pt-20 -41.02 -57.58 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.14 -52.47 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.888 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -50.52 -72.45 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -28.54 -58.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 109.425 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -42.88 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.208 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.76 -6.68 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.957 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.85 -14.6 19.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 80' ' ' ALA . 6.6 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -67.79 59.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.769 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.7 -55.52 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 31.52 53.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.964 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.95 -63.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.09 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.908 HG23 HG22 ' A' ' 16' ' ' THR . 0.5 OUTLIER -157.85 151.3 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.769 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.88 143.76 40.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.713 HG22 ' CB ' ' A' ' 14' ' ' THR . 35.7 p -151.06 129.41 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.998 ' HB2' HD11 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -155.61 151.64 27.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.6 tt0 -86.82 120.5 28.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 13' ' ' ILE . 5.2 m -114.86 171.41 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 109.221 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 12' ' ' ILE . 19.5 tt -92.61 111.38 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -102.17 145.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.615 1.197 . . . . 0.0 109.272 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.775 ' CB ' HG22 ' A' ' 91' ' ' THR . 21.3 p -119.61 112.84 19.82 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.611 1.195 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.835 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -105.79 109.23 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -95.18 146.07 24.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -75.76 107.06 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.36 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -47.59 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -91.38 -3.55 56.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 53.21 41.01 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.762 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.8 t-20 -91.83 34.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.558 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 76.43 -53.47 3.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.55 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.3 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 87.15 46.95 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.756 HD22 HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -115.36 164.02 14.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -146.36 110.84 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.928 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.033 HD11 ' CD ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -126.54 177.46 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.741 ' O ' HG22 ' A' ' 40' ' ' ILE . 4.2 p -153.17 161.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.402 1.064 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -142.32 120.15 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.234 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.227 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.14 140.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 28.8 m-85 -140.64 161.09 38.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.91 120.19 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.2 tttt -73.5 -42.6 61.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 154.04 173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.756 HG12 HD22 ' A' ' 25' ' ' LEU . 14.1 m -97.49 136.49 28.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.0 t -40.31 -30.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.415 1.072 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.3 tptt 80.71 11.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.8 34.73 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.95 177.84 16.49 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.829 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -74.1 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 0.8 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.835 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -67.92 -8.32 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -53.56 6.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.472 HG23 ' OD2' ' A' ' 52' ' ' ASP . 93.8 t -76.23 -31.21 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.33 -42.74 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.56 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -75.62 -44.11 21.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 47.99 42.44 16.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.226 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 HD11 ' A' ' 25' ' ' LEU . 34.9 mt -67.82 154.49 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.23 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 163.24 24.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -103.55 116.7 32.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.608 1.192 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.09 16.34 5.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 19.4 m-20 -74.41 170.53 15.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 35.7 tt0 -120.59 111.64 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.707 HD23 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -88.62 149.81 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -141.74 -34.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.622 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -115.06 153.41 30.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.832 HG21 ' CB ' ' A' ' 79' ' ' ALA . 3.7 p -126.18 155.19 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.615 ' H ' HD12 ' A' ' 92' ' ' LEU . 49.4 t0 -66.25 122.64 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.51 -24.43 32.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.1 mtp85 -139.51 118.69 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.725 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -78.12 76.0 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 72' ' ' VAL . 81.6 mt -54.97 -55.7 27.84 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.8 -8.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 109.275 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 147.71 54.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.857 ' HB2' HD22 ' A' ' 71' ' ' LEU . 12.2 mt -116.76 174.0 6.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 0.802 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.8 167.69 19.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 1.033 ' CD ' HD11 ' A' ' 27' ' ' ILE . 1.6 mm100 -74.52 -11.37 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.24 -71.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -53.88 53.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.832 ' CB ' HG21 ' A' ' 66' ' ' VAL . . . -50.81 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 2.49 -80.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.379 1.049 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.643 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.9 tt0 -52.61 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.54 20.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.789 ' HE2' HD13 ' A' ' 27' ' ' ILE . 3.3 tpt -121.8 -29.39 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.558 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 1.3 m -89.78 -52.25 5.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -64.33 67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 1.003 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -83.73 -51.27 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.5 OUTLIER 34.62 58.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.085 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 161.33 -64.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.058 . . . . 0.0 110.039 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.549 ' N ' HG23 ' A' ' 86' ' ' THR . 11.6 p -164.12 152.3 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.003 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -121.22 94.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.057 ' C ' HD13 ' A' ' 92' ' ' LEU . 5.4 p -94.36 104.74 16.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.057 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -121.29 167.37 12.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 64' ' ' LEU . 44.2 tt0 -116.6 111.82 20.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 13' ' ' ILE . 16.8 m -112.03 164.9 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.371 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' ILE . 15.1 tt -92.6 110.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.735 HG13 HG22 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -97.8 145.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.815 ' CB ' HG22 ' A' ' 91' ' ' THR . 16.7 p -132.87 110.31 10.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.842 HG13 HG23 ' A' ' 90' ' ' VAL . 8.6 p -114.5 125.81 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' LYS . 93.8 m -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 110.409 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -59.13 85.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -67.25 -69.27 0.32 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.381 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -77.21 -7.08 55.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.65 ' HA ' HD13 ' A' ' 17' ' ' LEU . 29.1 mt-30 53.06 41.23 32.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' MET . 5.4 m-20 -105.1 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.255 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 66.55 -65.8 0.17 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.534 ' HE3' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER 165.48 -65.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.917 ' O ' HG13 ' A' ' 45' ' ' VAL . . . 79.31 79.34 0.82 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 45' ' ' VAL . 7.1 mt -152.45 152.44 31.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.781 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.23 109.23 5.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.539 1.149 . . . . 0.0 109.952 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' A' ' 63' ' ' LEU . 1.3 pt -121.54 175.38 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.05 142.13 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.616 1.197 . . . . 0.0 109.349 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -127.27 123.64 36.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.952 HG21 HD23 ' A' ' 63' ' ' LEU . 1.4 mt -102.05 155.02 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.464 0.743 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 66.4 m-85 -159.12 165.82 32.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.355 1.034 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 15.3 t -103.09 124.63 57.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.505 ' O ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -80.98 -55.11 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 173.95 173.79 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 24' ' ' GLY . 8.2 t -96.99 149.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.058 . . . . 0.0 109.203 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.8 t -65.54 -16.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER 71.51 21.16 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -160.66 61.48 0.29 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -152.75 177.58 30.36 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -67.71 -64.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -67.1 -8.2 28.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.796 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.63 -56.25 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 t -81.34 -34.5 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.36 -60.21 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.61 -57.7 18.45 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 56.47 42.85 26.89 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 0.78 . . . . 0.0 110.261 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.16 169.15 15.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.38 171.16 7.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -94.28 127.59 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.77 8.25 8.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m-20 -75.07 112.1 10.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 55.6 tt0 -73.86 116.76 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.952 HD23 HG21 ' A' ' 40' ' ' ILE . 3.0 tp -97.64 155.56 16.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.621 HD23 ' CA ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -146.29 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.98 160.58 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.095 . . . . 0.0 109.961 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.809 HG23 ' SD ' ' A' ' 83' ' ' MET . 2.2 p -130.81 169.81 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.4 t0 -71.41 131.52 43.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 69' ' ' ARG . . . 76.83 -5.86 44.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.602 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -150.1 116.57 5.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 0.777 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LEU . 58.3 p -86.66 65.13 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.814 ' O ' HG12 ' A' ' 72' ' ' VAL . 7.9 mp -37.31 -55.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.814 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 82.76 -5.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.407 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.621 ' CA ' HD23 ' A' ' 64' ' ' LEU . . . 142.41 54.6 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.784 ' O ' HD11 ' A' ' 40' ' ' ILE . 16.8 mt -117.53 175.11 5.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 0.785 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.65 168.05 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.523 ' OE1' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -79.61 -10.72 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.56 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.678 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.01 -58.53 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.643 1.214 . . . . 0.0 110.355 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.8 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -44.61 -81.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.641 1.213 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.08 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.225 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 83' ' ' MET . 6.5 tt0 -42.42 -67.17 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -73.53 14.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.072 . . . . 0.0 109.27 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.809 ' SD ' HG23 ' A' ' 66' ' ' VAL . 46.6 ttp -122.63 -7.44 8.57 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.542 1.151 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -103.28 -48.66 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 59.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.885 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.8 -54.17 4.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.428 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 29.64 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m 175.25 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.929 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.576 ' O ' HG23 ' A' ' 86' ' ' THR . 14.9 p -153.93 154.91 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.885 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -130.39 103.66 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.815 HG22 ' CB ' ' A' ' 14' ' ' THR . 1.5 p -105.18 110.78 23.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.514 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -134.2 159.62 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 6.3 tt0 -102.99 111.53 23.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.735 HG22 HG13 ' A' ' 13' ' ' ILE . 5.8 m -117.81 158.49 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.685 ' HB3' HD11 ' A' ' 13' ' ' ILE . 8.0 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.788 HD13 ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -88.65 110.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.862 HG12 HG22 ' A' ' 94' ' ' VAL . 1.5 mm -105.52 145.21 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.847 ' HB ' HG22 ' A' ' 91' ' ' THR . 68.6 p -128.43 111.19 13.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -106.18 111.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 7.4 m -101.13 120.25 39.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.605 1.191 . . . . 0.0 110.372 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -40.42 117.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -45.03 5.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -95.15 -4.34 46.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.479 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 91.6 mt-30 55.51 41.51 30.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.265 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.767 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -95.64 44.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.485 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 70.28 -56.87 0.86 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.528 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 167.48 -80.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 110.975 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' HA2' HG21 ' A' ' 46' ' ' VAL . . . 82.88 62.18 1.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.572 ' CD2' HG12 ' A' ' 45' ' ' VAL . 3.1 mt -129.62 165.13 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -146.56 116.49 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.003 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.701 HD11 ' HE3' ' A' ' 83' ' ' MET . 0.3 OUTLIER -145.59 168.41 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.3 171.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -139.26 127.8 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 1.061 . . . . 0.0 109.184 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.058 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.0 HG21 HD23 ' A' ' 63' ' ' LEU . 1.1 mt -98.91 146.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 62.4 m-85 -149.31 161.75 41.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.592 1.182 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.507 HG22 ' CG2' ' A' ' 27' ' ' ILE . 42.5 t -102.4 128.58 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 tttt -79.93 -43.19 22.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER 159.46 172.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 25' ' ' LEU . 5.5 m -93.29 137.49 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.7 t -40.36 -33.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 23.7 tptt 87.98 8.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.37 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.15 36.46 0.65 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -122.57 176.05 16.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.767 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -68.71 -67.3 0.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -61.36 -24.72 66.67 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.08 -55.29 30.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' OD2' ' A' ' 52' ' ' ASP . 59.7 t -77.85 -59.32 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -61.22 2.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.86 -51.06 60.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 55.13 45.91 25.07 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.27 165.01 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.11 . . . . 0.0 109.203 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.81 156.05 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -94.38 113.74 25.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.11 23.77 3.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 6.3 m-20 -74.63 170.99 14.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 36.3 tt0 -119.37 107.71 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.337 1.023 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.0 HD23 HG21 ' A' ' 40' ' ' ILE . 2.6 tp -88.75 155.18 19.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.786 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -146.48 -37.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 1.4 p -115.66 163.03 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.862 HG23 ' SD ' ' A' ' 83' ' ' MET . 9.0 p -131.7 164.25 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 0.0 109.437 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.506 ' CA ' ' O ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -72.88 129.59 38.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 -8.81 74.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.589 1.18 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 66' ' ' VAL . 51.8 mtp85 -150.88 118.93 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.731 ' O ' HG13 ' A' ' 72' ' ' VAL . 62.1 m -85.09 75.46 10.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 72' ' ' VAL . 4.0 mt -54.62 -60.63 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.88 -5.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.552 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 150.75 52.23 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.831 ' HB2' HD22 ' A' ' 71' ' ' LEU . 13.5 mt -116.15 172.52 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 0.702 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 152.46 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.823 ' CG ' ' HB2' ' A' ' 29' ' ' ALA . 1.6 mm100 -64.68 -11.0 31.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.621 1.201 . . . . 0.0 110.211 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -43.82 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -47.79 -56.29 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.706 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.86 -90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 4.74 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.8 tt0 -51.31 -69.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -54.25 -15.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.862 ' SD ' HG23 ' A' ' 66' ' ' VAL . 32.0 ttp -97.41 -15.63 20.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.564 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -76.68 -64.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -66.86 66.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.995 HG21 HG13 ' A' ' 90' ' ' VAL . 22.6 m -82.91 -41.92 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 89.55 -64.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 89' ' ' VAL . 17.6 m -175.04 50.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.777 ' H ' HG22 ' A' ' 86' ' ' THR . 14.0 p 178.66 92.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.995 HG13 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -105.84 93.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.847 HG22 ' HB ' ' A' ' 14' ' ' THR . 0.8 OUTLIER -97.42 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.802 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -130.85 162.42 29.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 29.3 tt0 -105.56 112.36 25.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 13' ' ' ILE . 22.2 m -115.27 168.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 12' ' ' ILE . 8.1 tt -82.19 116.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.652 ' CG1' HG22 ' A' ' 94' ' ' VAL . 1.4 mm -101.43 143.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.74 ' HB ' HG22 ' A' ' 91' ' ' THR . 0.9 OUTLIER -125.04 122.06 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.646 1.216 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.733 HG13 HG23 ' A' ' 90' ' ' VAL . 12.2 p -117.73 131.12 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 m -105.32 159.52 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -89.71 107.72 19.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.87 -55.6 3.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -76.35 -1.89 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 55.83 35.32 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.817 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 1.8 m-20 -100.07 153.0 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.65 -63.12 0.05 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.96 -49.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 61.11 62.37 5.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.717 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.2 mt -126.0 165.58 18.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.8 m -144.94 114.74 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.619 HD12 ' N ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -132.09 166.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.619 ' N ' HD12 ' A' ' 27' ' ' ILE . 2.3 p -152.8 139.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -125.41 142.69 51.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.908 HG21 HD23 ' A' ' 63' ' ' LEU . 1.3 mt -99.63 160.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 68.7 m-85 -158.85 152.62 23.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG2' ' OD2' ' A' ' 61' ' ' ASP . 24.8 t -95.49 120.08 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 44' ' ' SER . 15.1 tttt -73.38 -46.02 51.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.594 1.184 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 p 156.13 173.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.717 HG12 ' CD2' ' A' ' 25' ' ' LEU . 13.7 m -89.27 134.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.509 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.1 t -53.41 -20.37 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.6 tptt 74.97 31.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.42 45.27 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.417 1.073 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -144.56 162.69 27.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.859 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -62.1 -47.32 85.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -75.13 -29.1 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.75 -51.8 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG23 ' OD2' ' A' ' 52' ' ' ASP . 19.1 t -81.59 -64.06 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -50.61 -62.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.236 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.01 -60.92 6.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.87 44.47 25.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.62 158.38 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 156.35 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -108.14 113.51 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.6 16.21 6.56 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.5 p30 -80.13 171.88 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.8 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 23.7 tt0 -108.42 109.84 21.22 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.908 HD23 HG21 ' A' ' 40' ' ' ILE . 2.7 tp -93.86 154.48 17.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.653 HD13 ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -146.95 -36.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.489 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 3.4 m -108.3 146.31 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.859 ' CB ' ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -120.37 161.25 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.57 ' H ' HD22 ' A' ' 92' ' ' LEU . 15.4 t70 -70.57 113.94 8.18 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.556 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 109.11 -15.73 33.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.41 1.068 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -150.4 117.48 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' LEU . 57.0 m -75.98 55.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.934 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD23 ' CB ' ' A' ' 74' ' ' LEU . 9.3 mp -33.91 -64.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.399 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 85.76 -11.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.373 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.34 50.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.457 1.098 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.85 ' O ' HD11 ' A' ' 40' ' ' ILE . 11.5 mt -120.93 172.02 8.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.778 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.4 p -73.95 155.57 38.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 109.941 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.779 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -81.5 -5.78 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' HE21 ' A' ' 76' ' ' GLN . 8.7 mm-40 -46.77 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.18 . . . . 0.0 110.302 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.448 HH12 HD22 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -80.46 -41.23 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.218 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.859 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -60.11 -75.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -25.57 -45.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 79' ' ' ALA . 11.5 tt0 -60.37 -79.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.955 ' O ' HD13 ' A' ' 82' ' ' LEU . 1.4 tm? -49.35 -21.92 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.424 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.855 ' SD ' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -87.31 -22.77 24.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 80' ' ' ALA . 9.2 m -64.8 -58.05 7.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.03 58.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 110.404 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.928 ' OG1' HG13 ' A' ' 90' ' ' VAL . 1.9 m -87.48 -57.02 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 29.55 77.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.931 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 153.73 -60.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 86' ' ' THR . 8.5 p -168.28 131.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.928 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.04 110.79 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.047 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -97.9 106.74 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.047 HD23 ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.04 144.05 50.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.653 ' OE2' HD13 ' A' ' 64' ' ' LEU . 25.5 tt0 -95.05 123.04 38.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.652 HG22 ' CG1' ' A' ' 13' ' ' ILE . 5.1 m -113.28 170.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.8 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 13.4 pt-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.04 111.37 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mt -107.9 150.51 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.623 ' CB ' HG22 ' A' ' 91' ' ' THR . 8.8 t -121.58 129.06 52.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -116.63 111.71 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.387 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.764 HG23 HG12 ' A' ' 89' ' ' VAL . 28.4 m -86.46 144.59 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -69.23 97.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -81.6 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.058 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -4.56 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.342 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 56.32 34.57 24.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.649 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 t-20 -111.24 162.33 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.61 -66.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.745 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 157.71 -44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 0.704 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 46' ' ' VAL . . . 61.04 66.17 2.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 25' ' ' LEU . 3.4 mt -123.69 155.76 37.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.6 t -140.4 109.95 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 0.2 OUTLIER -129.08 169.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.59 143.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.221 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -126.48 141.05 52.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.941 HG21 HD23 ' A' ' 63' ' ' LEU . 1.1 mt -100.71 156.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.596 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -151.72 172.13 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.094 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.2 t -119.3 118.0 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -72.95 -47.27 46.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 t 154.17 173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.081 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG23 ' H ' ' A' ' 47' ' ' LYS . 12.8 m -81.09 157.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.388 1.055 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 24' ' ' GLY . 60.0 t -81.14 4.57 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 18.5 pttt 49.05 44.25 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -178.43 42.93 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.489 ' HA3' ' C ' ' A' ' 23' ' ' MET . . . -146.21 166.9 27.99 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.653 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -61.68 -59.31 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.405 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -65.25 -28.22 69.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.62 -52.85 63.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 t -80.66 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -52.49 -64.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.394 1.059 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' ALA . . . -50.32 -56.29 13.33 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.396 1.06 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 55.21 45.96 24.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 0.811 . . . . 0.0 110.354 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 mt -69.55 148.67 49.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.57 154.01 21.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 44' ' ' SER . . . -81.42 115.44 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.596 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 117.71 42.82 0.6 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.1 m-20 -106.76 116.3 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 95' ' ' ALA . 3.1 tt0 -74.63 115.85 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.941 HD23 HG21 ' A' ' 40' ' ' ILE . 1.1 tp -99.44 152.12 20.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -137.45 -40.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.422 1.076 . . . . 0.0 109.355 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.545 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -109.03 155.54 20.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.982 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -125.86 158.08 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.495 ' CA ' ' O ' ' A' ' 91' ' ' THR . 61.4 t0 -70.37 115.46 9.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.687 1.242 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.409 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 107.48 -19.14 34.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -151.12 115.57 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 110.258 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.789 ' O ' HG13 ' A' ' 72' ' ' VAL . 45.0 p -78.29 74.1 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.988 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.43 -51.56 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.415 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.988 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.56 -5.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.506 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 148.9 53.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.415 1.072 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 9.2 mt -121.23 173.25 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.472 ' HA ' ' HB1' ' A' ' 29' ' ' ALA . 51.9 p -71.92 156.56 39.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.63 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.4 pt20 -82.49 -14.17 55.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.629 1.206 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -38.27 -57.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -56.64 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.828 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -47.71 -69.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -27.03 -63.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.84 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.947 ' O ' HD13 ' A' ' 82' ' ' LEU . 1.2 tm? -61.09 -12.11 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.982 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -96.06 -16.15 21.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.62 ' N ' ' O ' ' A' ' 80' ' ' ALA . 24.8 m -78.99 -57.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.67 61.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.842 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.98 -55.76 4.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.434 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 m 67.2 -60.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' THR . 4.7 m -78.8 -91.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 86' ' ' THR . 1.0 OUTLIER -125.88 170.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.842 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.32 105.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.816 ' C ' HD23 ' A' ' 92' ' ' LEU . 1.2 p -97.93 106.76 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.848 HD22 ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.98 151.84 51.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.412 1.07 . . . . 0.0 109.203 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.3 tt0 -98.7 116.52 31.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.1 m -119.67 165.88 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 12' ' ' ILE . 11.2 tt -90.25 111.95 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 94' ' ' VAL . 2.5 mm -98.25 145.89 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.69 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.0 t -125.42 122.13 35.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.986 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -112.22 114.2 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -88.14 148.25 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -83.35 95.46 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -78.95 -63.63 1.37 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.586 1.178 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -78.12 -4.35 46.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.531 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 52.58 41.19 31.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.748 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 49.3 t-20 -91.14 37.62 0.94 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.564 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 77.13 -53.45 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.758 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.74 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.549 0.793 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 88.15 45.32 5.09 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.772 HD22 HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -114.32 162.68 16.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -144.81 118.98 9.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.621 1.201 . . . . 0.0 109.95 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.625 HD12 HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -134.73 172.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.411 ' N ' HG13 ' A' ' 27' ' ' ILE . 33.9 t -150.24 156.02 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -136.26 132.83 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.22 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.638 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.1 mt -102.24 156.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 0.775 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 61.5 m-85 -155.17 169.69 23.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' GLY . 54.2 t -110.81 121.46 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.665 1.228 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 tttm -74.18 -44.93 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.6 t 156.04 174.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.772 HG12 HD22 ' A' ' 25' ' ' LEU . 18.8 m -93.67 135.34 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.647 1.217 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.3 t -39.79 -30.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.635 1.21 . . . . 0.0 109.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 tptp 83.42 10.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -154.44 38.97 0.66 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -124.25 176.24 16.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.626 0.839 . . . . 0.0 111.045 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.748 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -72.21 -65.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.986 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -69.09 -6.6 29.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.79 -52.09 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.396 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.3 -31.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.201 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -81.51 -52.38 7.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -61.27 -54.07 39.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.07 44.89 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.417 HD21 HG21 ' A' ' 13' ' ' ILE . 77.0 mt -70.87 161.16 31.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.374 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.668 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . . . -75.66 158.55 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 44' ' ' SER . . . -104.55 110.2 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.37 22.07 4.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.434 1.083 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.668 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 26.7 m-20 -74.3 169.81 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 21.8 tt0 -113.78 112.13 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.73 HD11 ' CB ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -95.06 151.99 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.575 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.3 -35.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.565 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -114.9 163.55 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.057 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.094 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 1.3 t -133.37 160.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 48.1 t0 -60.78 128.62 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -31.9 5.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 66' ' ' VAL . 1.7 mtt-85 -137.71 112.56 8.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.629 ' O ' ' C ' ' A' ' 71' ' ' LEU . 88.7 p -78.24 50.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.822 HD21 ' HB ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -20.62 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 89.11 -7.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.524 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 150.69 52.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.439 1.087 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.638 ' O ' HD11 ' A' ' 40' ' ' ILE . 18.6 mt -114.31 173.3 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.78 155.81 38.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -65.58 -9.27 25.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -44.38 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -39.69 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.215 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.094 ' HB1' ' CG2' ' A' ' 66' ' ' VAL . . . -59.68 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.64 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -15.14 -69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.3 tt0 -42.03 -69.3 0.14 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.12 7.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.861 ' SD ' HG22 ' A' ' 66' ' ' VAL . 8.8 ttp -112.35 -7.57 13.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.5 m -103.34 -53.33 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -64.86 64.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.609 1.193 . . . . 0.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.771 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.74 -54.14 5.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t 67.31 -58.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.97 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.09 -77.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 86' ' ' THR . 0.9 OUTLIER -140.67 158.72 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.771 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.52 109.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.054 ' C ' HD13 ' A' ' 92' ' ' LEU . 2.2 p -108.31 105.4 15.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.463 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.054 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -126.3 153.7 44.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.219 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.41 113.99 25.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.702 HG13 HD12 ' A' ' 63' ' ' LEU . 9.2 m -120.42 167.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.519 ' C ' HD13 ' A' ' 13' ' ' ILE . 1.2 tt -89.06 111.04 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.223 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.664 ' CG1' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -99.86 140.66 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.679 HG23 HG22 ' A' ' 91' ' ' THR . 3.0 m -118.73 109.19 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.909 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -105.76 108.71 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.405 ' OG1' ' CG1' ' A' ' 89' ' ' VAL . 1.1 m -94.92 155.32 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -96.24 109.06 21.6 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -48.61 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 0.0 109.401 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -88.1 -5.35 58.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.216 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 52.59 39.25 27.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.636 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -87.26 48.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 70.1 -54.52 0.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.413 1.07 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 158.92 -70.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 0.808 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 78.28 66.96 1.68 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 45' ' ' VAL . 15.3 mt -132.94 160.54 36.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.1 t -142.64 122.37 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD13 ' CE ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.44 169.38 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -151.67 131.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.38 141.81 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.867 HD11 ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -95.03 149.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 0.799 . . . . 0.0 109.274 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 55.5 m-85 -147.4 170.19 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 1.199 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 54.2 t -106.7 121.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 44' ' ' SER . 16.9 tptm -73.59 -44.71 56.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 157.1 173.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 11.6 m -94.47 136.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 3.4 t -42.98 -28.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 82.71 7.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -150.96 35.42 0.91 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.85 170.69 13.91 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.914 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -71.6 -53.06 14.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 109.38 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.909 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -77.51 -8.48 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -52.5 7.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.499 HG23 ' OD2' ' A' ' 52' ' ' ASP . 42.8 t -81.04 -33.19 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 55.8 t0 -79.01 -51.5 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -65.81 -48.25 68.36 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 55.46 45.23 25.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.382 0.696 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.632 ' CD2' HG21 ' A' ' 13' ' ' ILE . 56.7 mt -69.38 151.92 45.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 61' ' ' ASP . . . -81.65 146.96 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.45 116.65 27.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.46 16.23 5.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 26.7 m-20 -73.51 167.44 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 0.83 . . . . 0.0 109.268 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -117.77 106.75 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.826 HD23 HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -82.66 153.46 25.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.783 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 64.1 mt -144.11 -39.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.557 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -119.51 168.39 11.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.853 HG23 ' SD ' ' A' ' 83' ' ' MET . 9.8 p -131.36 169.29 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.533 ' H ' HD12 ' A' ' 92' ' ' LEU . 1.6 p-10 -70.78 128.77 37.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.205 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.08 -11.51 42.33 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.472 1.108 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.811 ' O ' HG12 ' A' ' 66' ' ' VAL . 41.5 mtp180 -151.49 105.08 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 15.4 m -78.13 80.53 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.961 HD22 ' HB2' ' A' ' 74' ' ' LEU . 64.5 mt -45.42 -50.91 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 81.85 -7.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 140.72 48.69 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.961 ' HB2' HD22 ' A' ' 71' ' ' LEU . 30.7 mt -110.4 176.3 5.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 109.244 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.1 m -71.02 150.13 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -68.04 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.6 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -47.71 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.917 ' HB2' HD11 ' A' ' 71' ' ' LEU . . . -46.38 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.31 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.7 tt0 -42.14 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -72.63 12.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.853 ' SD ' HG23 ' A' ' 66' ' ' VAL . 55.6 ttp -117.79 -14.13 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.6 m -96.39 -58.59 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -67.13 54.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 89' ' ' VAL . 13.4 m -88.93 -53.14 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.35 -73.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -50.07 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.915 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 86' ' ' THR . 1.5 m -137.79 139.67 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.5 ' CG1' ' HB ' ' A' ' 86' ' ' THR . 3.7 m -103.89 102.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.054 ' C ' HD13 ' A' ' 92' ' ' LEU . 3.0 p -102.15 104.59 15.2 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.054 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -119.12 164.07 16.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.176 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.2 tt0 -108.76 107.86 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.664 HG22 ' CG1' ' A' ' 13' ' ' ILE . 23.1 m -127.87 161.51 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.637 1.211 . . . . 0.0 109.265 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.912 0 CA-C-O 118.726 -1.041 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.63 169.08 23.19 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.133 2.556 . . . . 0.0 111.088 173.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 pp -149.65 143.83 25.76 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.281 1.032 . . . . 0.0 108.654 167.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.21 -122.97 0.22 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.215 0.912 . . . . 0.0 113.551 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -155.19 -62.44 0.12 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.984 -0.715 . . . . 0.0 109.762 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -166.18 126.71 1.72 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.996 1.718 . . . . 0.0 108.731 175.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -161.18 156.28 24.06 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.141 1.376 . . . . 0.0 108.124 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -89.81 67.43 7.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.185 0.517 . . . . 0.0 110.216 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -147.39 165.67 18.23 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.904 0.882 . . . . 0.0 111.719 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.56 119.85 5.36 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.137 2.558 . . . . 0.0 110.484 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -166.75 174.13 8.93 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 122.364 1.078 . . . . 0.0 110.912 -165.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.45 135.83 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.604 157.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mt -132.44 146.44 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -134.47 143.3 47.42 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.812 -1.18 . . . . 0.0 110.96 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG1' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -139.02 95.36 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 122.07 0.938 . . . . 0.0 109.399 -161.247 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -75.95 154.15 36.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.335 1.454 . . . . 0.0 112.869 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.13 49.52 1.11 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.998 1.319 . . . . 0.0 112.014 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -36.36 -36.8 0.11 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 128.326 2.65 . . . . 0.0 116.714 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -132.78 23.71 4.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.324 1.85 . . . . 0.0 112.564 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 52.24 -13.04 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 129.934 3.294 . . . . 0.0 119.833 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.05 46.35 0.1 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.83 2.452 . . . . 0.0 114.565 -174.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 179.92 2.64 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.756 -1.215 . . . . 0.0 112.665 -164.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 mtp -71.43 -49.47 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.62 -1.517 . . . . 0.0 111.703 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 61.01 5.23 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.472 0.558 . . . . 0.0 112.281 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.07 172.2 12.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.71 1.204 . . . . 0.0 110.082 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -140.86 124.17 16.66 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 120.006 -1.683 . . . . 0.0 109.315 -176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.32 152.49 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.986 1.314 . . . . 0.0 110.18 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.1 t -136.39 127.56 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.336 1.454 . . . . 0.0 107.928 173.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.96 164.02 13.08 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 122.177 0.989 . . . . 0.0 111.066 165.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.15 170.56 9.44 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.492 1.117 . . . . 0.0 109.504 164.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -128.73 169.88 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 125.287 1.435 . . . . 0.0 110.211 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.65 49.76 4.29 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.225 0.917 . . . . 0.0 112.115 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.93 131.46 15.79 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.089 0.956 . . . . 0.0 111.362 -171.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.03 -35.92 0.76 Allowed Glycine 0 N--CA 1.476 1.349 0 C-N-CA 124.922 1.249 . . . . 0.0 114.511 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -131.1 156.31 45.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.812 1.645 . . . . 0.0 109.221 156.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -75.92 11.12 1.52 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 128.869 2.868 . . . . 0.0 116.387 -167.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -100.52 -45.25 5.6 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -143.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.3 tp 54.02 175.01 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 125.071 1.348 . . . . 0.0 113.611 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.08 -178.15 16.46 Favored Glycine 0 N--CA 1.475 1.253 0 O-C-N 120.52 -1.362 . . . . 0.0 114.343 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mt -147.48 149.14 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.145 1.378 . . . . 0.0 108.906 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -145.88 137.09 24.75 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.567 1.147 . . . . 0.0 111.27 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.07 99.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.373 1.069 . . . . 0.0 108.364 162.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.3 -38.85 92.51 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.72 -0.613 . . . . 0.0 111.382 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.3 p -172.25 173.51 4.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.106 0.963 . . . . 0.0 112.769 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.8 m -74.72 166.86 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.379 148.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.18 13.15 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 120.162 1.346 . . . . 0.0 112.717 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 58.24 35.52 25.01 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.022 -1.049 . . . . 0.0 111.727 168.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.68 36.05 0.04 OUTLIER Glycine 0 CA--C 1.54 1.646 0 N-CA-C 116.671 1.428 . . . . 0.0 116.671 -172.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -147.89 167.83 28.79 Favored Glycine 0 N--CA 1.476 1.348 0 CA-C-N 119.946 1.873 . . . . 0.0 113.982 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.58 82.77 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.214 -1.168 . . . . 0.0 113.518 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.01 -26.43 33.85 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.614 0.766 . . . . 0.0 111.983 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -60.6 3.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.254 1.021 . . . . 0.0 111.718 164.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.67 -30.37 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -120.69 -12.55 8.85 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -89.35 -34.12 8.9 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 121.508 -0.745 . . . . 0.0 113.62 166.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtm-85 47.83 43.54 17.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.479 1.512 . . . . 0.0 113.317 171.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.15 153.91 17.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.725 1.21 . . . . 0.0 111.804 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.8 143.77 26.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.635 1.207 . . . . 0.0 111.746 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 125.51 23.04 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.414 -0.804 . . . . 0.0 109.629 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 -4.21 48.15 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.536 1.541 . . . . 0.0 116.07 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.36 112.13 2.3 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.656 1.728 . . . . 0.0 111.71 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.82 94.37 2.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.899 1.28 . . . . 0.0 111.064 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.25 143.77 55.14 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.307 1.843 . . . . 0.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -133.3 -37.15 0.97 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.979 1.712 . . . . 0.0 112.993 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -136.89 166.18 24.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.817 1.247 . . . . 0.0 112.072 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.23 158.45 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.406 1.482 . . . . 0.0 111.133 -164.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -51.87 132.35 31.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.933 0.873 . . . . 0.0 112.459 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.57 -2.87 0.71 Allowed Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -173.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -141.82 94.31 2.66 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.275 2.037 . . . . 0.0 112.122 -172.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -62.81 65.47 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.612 2.365 . . . . 0.0 114.363 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -61.95 -27.89 69.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.696 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.277 21.4 m 45.8 -1.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 130.063 3.345 . . . . 0.0 118.406 -167.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.68 38.48 0.02 OUTLIER Glycine 0 CA--C 1.539 1.552 0 CA-C-N 120.075 1.307 . . . . 0.0 116.025 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.62 149.9 48.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.938 1.869 . . . . 0.0 113.276 -172.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -67.02 155.79 37.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -161.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -57.43 -26.95 61.94 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -168.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -59.53 -13.95 11.08 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -122.2 22.09 10.26 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.755 0.822 . . . . 0.0 111.966 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.24 -50.85 0.22 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.07 69.17 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.397 -1.44 . . . . 0.0 113.065 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -54.53 -34.42 61.74 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 113.779 167.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.1 -55.34 4.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.05 0.94 . . . . 0.0 109.747 170.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.4 mtm -51.56 -34.76 38.2 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.7 m -64.3 -32.13 73.61 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.283 -0.886 . . . . 0.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -83.51 -9.91 58.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 m -30.48 -51.48 0.15 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 128.12 2.568 . . . . 0.0 116.761 -172.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 58.61 -17.62 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.6 p -143.18 -40.82 0.31 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -165.38 127.66 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 119.957 1.253 . . . . 0.0 110.806 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 117.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 165.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.8 p -74.84 144.08 43.61 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.174 -0.954 . . . . 0.0 108.953 148.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.5 mt -145.19 169.17 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.573 2.349 . . . . 0.0 108.57 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -136.67 129.42 30.63 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.481 1.112 . . . . 0.0 108.157 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.2 m -142.8 165.11 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.865 0.866 . . . . 0.0 112.933 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.49 111.82 8.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.115 1.366 . . . . 0.0 112.05 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -56.6 109.6 0.65 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.941 0.896 . . . . 0.0 112.507 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -131.21 162.42 30.01 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.365 1.466 . . . . 0.0 109.75 165.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.84 -170.1 3.06 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 115.106 0.802 . . . . 0.0 115.106 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.22 -177.32 5.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.445 1.498 . . . . 0.0 110.105 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.23 -54.22 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 164.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 C--O 1.254 1.33 0 C-N-CA 128.754 2.821 . . . . 0.0 108.134 165.219 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' STF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -178.32 4.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pp -167.98 117.65 0.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -141.62 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.29 -57.06 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.906 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.22 123.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.25 143.01 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 82.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -163.95 158.61 16.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -74.93 128.45 11.55 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 176.15 -174.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 18.7 tt -79.06 125.97 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.718 HG13 HG22 ' A' ' 94' ' ' VAL . 2.4 mm -114.16 149.3 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.62 ' CB ' HG22 ' A' ' 91' ' ' THR . 5.4 t -128.86 125.81 38.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.6 t -111.46 134.86 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -108.41 154.49 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -94.35 107.3 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -89.8 -57.6 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -75.22 -1.3 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.3 33.87 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.766 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -95.45 158.04 15.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -29.24 -61.9 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.518 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 162.92 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.519 0.776 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.09 49.27 22.39 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.838 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -113.18 159.11 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.4 m -145.37 108.86 4.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.888 HD11 ' NE2' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -131.59 175.2 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 29' ' ' ALA . 75.2 t -149.87 167.76 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.549 ' N ' HG12 ' A' ' 28' ' ' VAL . . . -150.76 116.76 5.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -163.83 158.6 20.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 135.55 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.398 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.02 -44.63 1.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.64 109.97 15.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.89 -78.5 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 37' ' ' LYS . 3.9 tp60 -87.89 90.8 8.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.65 -30.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -100.14 65.62 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 75' ' ' SER . 0.3 OUTLIER 68.62 105.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.21 140.75 11.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.932 HG21 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -94.85 150.54 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.382 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -145.33 164.81 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.94 118.8 59.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.2 ttmt -74.09 -48.46 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 3.1 p 156.69 173.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.838 HG12 ' CD2' ' A' ' 25' ' ' LEU . 19.3 m -89.56 128.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -39.49 -31.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 8.8 tptt 86.51 27.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.369 1.043 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -162.43 45.6 0.35 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.67 164.09 27.12 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.78 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -63.13 -58.72 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -68.91 -15.32 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -71.41 -51.78 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -80.21 -49.5 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 31.7 t70 -60.98 -50.57 72.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -63.39 -54.75 29.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 55.91 45.02 24.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.257 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.549 HD12 HD11 ' A' ' 25' ' ' LEU . 66.1 mt -69.41 148.39 49.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.37 161.16 22.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 44' ' ' SER . . . -91.15 119.26 31.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 109.05 43.66 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -103.81 120.77 41.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 4.6 tt0 -74.0 109.68 7.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.932 HD23 HG21 ' A' ' 40' ' ' ILE . 3.9 tp -94.76 155.91 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.623 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -147.72 -37.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.09 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.513 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 1.4 p -105.83 149.43 26.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.029 HG21 ' HB1' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -122.66 154.58 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.49 ' CA ' ' O ' ' A' ' 91' ' ' THR . 28.1 t0 -69.98 109.56 4.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 120.41 -23.54 7.99 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -151.11 125.33 9.35 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.617 0.834 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.743 ' O ' HG13 ' A' ' 72' ' ' VAL . 19.3 m -75.49 76.17 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.918 HD13 ' HB ' ' A' ' 66' ' ' VAL . 8.5 mp -54.71 -56.05 23.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.01 -6.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.426 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 148.15 55.9 0.02 OUTLIER Glycine 0 CA--C 1.527 0.841 0 O-C-N 124.554 1.159 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.693 ' CB ' HD23 ' A' ' 71' ' ' LEU . 12.5 mt -118.77 174.52 6.23 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.371 0.689 . . . . 0.0 109.198 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.578 ' HA ' HD11 ' A' ' 38' ' ' LEU . 1.3 m -72.46 160.24 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.888 ' NE2' HD11 ' A' ' 27' ' ' ILE . 6.0 mm100 -84.71 -16.38 41.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -39.04 -63.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -49.87 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.029 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -48.75 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -22.48 -67.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -41.29 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.736 ' O ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -56.21 -16.86 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.991 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.7 -3.65 35.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 111.056 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' ' O ' ' A' ' 80' ' ' ALA . 85.6 m -87.07 -57.72 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.375 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -67.37 59.41 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 110.158 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 89' ' ' VAL . 1.4 m -87.45 -56.89 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 1.051 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 26.32 74.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.929 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 153.71 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.916 ' O ' HG23 ' A' ' 86' ' ' THR . 4.4 p -157.73 136.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.909 HG22 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -117.68 99.53 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.799 ' C ' HD23 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -93.18 107.82 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.887 HD22 ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.22 152.41 51.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 63' ' ' LEU . 17.1 tt0 -99.35 127.48 45.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.232 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.718 HG22 HG13 ' A' ' 13' ' ' ILE . 5.4 m -126.43 167.74 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . -138.86 126.41 21.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -47.19 150.49 0.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 1.2 mt-30 166.84 152.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 50.38 -142.32 15.01 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.551 1.157 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.27 -176.63 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.6 mt -48.41 -74.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 170.76 19.7 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.513 1.796 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.767 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -153.12 -179.15 7.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.95 119.91 2.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.102 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -105.21 -79.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.56 -164.53 1.84 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -69.3 178.04 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.465 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 132.93 2.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -176.93 157.3 1.36 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' HB3' ' HA ' ' A' ' 95' ' ' ALA . 18.5 Cg_endo -74.94 127.32 10.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.537 1.809 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -178.62 -149.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.02 118.93 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.809 HG21 ' CD2' ' A' ' 57' ' ' LEU . 14.1 mm -108.48 156.86 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.799 ' HB ' HG22 ' A' ' 91' ' ' THR . 1.7 t -136.73 139.08 41.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.041 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -127.29 108.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.629 1.206 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.443 ' N ' HG23 ' A' ' 89' ' ' VAL . 18.9 m -88.26 153.34 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -87.89 92.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -76.86 -62.22 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.62 -3.55 56.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.652 ' HA ' HD13 ' A' ' 17' ' ' LEU . 27.5 mt-30 52.19 41.52 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.822 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.6 t-20 -91.35 36.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 80.91 -58.11 4.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.557 1.16 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.694 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.41 -76.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' C ' ' OD1' ' A' ' 52' ' ' ASP . . . 99.65 -8.61 60.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.391 1.057 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.557 HD22 HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -63.36 155.11 29.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.743 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -143.81 106.36 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 109.972 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.649 HD12 HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -126.26 167.57 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 56.0 t -150.83 161.7 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -132.91 146.84 52.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.89 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -113.61 144.18 43.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -150.24 109.91 4.05 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.93 -58.89 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LYS . . . -74.43 138.66 43.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.465 0.744 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.71 -65.3 2.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.1 tt0 -121.17 91.0 3.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -38.03 -31.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -95.7 104.12 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 30' ' ' ALA . 9.8 tp -39.43 142.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.48 137.49 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.957 HG21 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -102.88 147.72 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.243 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 68.6 m-85 -148.22 158.33 44.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 73.9 t -97.04 123.95 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.586 ' O ' ' HB1' ' A' ' 59' ' ' ALA . 5.1 tttm -74.01 -63.51 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 34.9 p 177.44 176.21 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.557 HG12 HD22 ' A' ' 25' ' ' LEU . 12.6 m -101.38 127.56 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 2.4 t -41.2 -28.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 9.3 tptt 74.22 32.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.33 28.33 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -120.34 177.95 16.42 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.822 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -69.09 -66.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 0.762 . . . . 0.0 109.208 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.041 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -71.87 -4.47 28.24 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' N ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -79.8 -51.73 8.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 49' ' ' GLY . 17.4 t -80.35 -32.77 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -79.79 -56.2 4.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.36 -56.98 16.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.94 43.37 30.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.809 ' CD2' HG21 ' A' ' 13' ' ' ILE . 10.1 mt -71.27 169.91 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.81 148.97 23.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -92.64 116.1 28.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 115.79 22.09 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 8.5 m-20 -74.77 170.8 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HG2' HD21 ' A' ' 64' ' ' LEU . 12.4 tt0 -120.67 109.17 14.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.957 HD23 HG21 ' A' ' 40' ' ' ILE . 2.3 tp -85.34 155.54 21.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -140.57 -43.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.631 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.21 168.1 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.766 HG21 ' HB1' ' A' ' 79' ' ' ALA . 7.2 p -126.76 167.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.526 ' CA ' ' O ' ' A' ' 91' ' ' THR . 48.0 t0 -70.19 131.13 43.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.32 -12.42 45.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.492 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 19.3 mtp85 -150.47 111.01 4.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.791 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.671 ' O ' HG13 ' A' ' 72' ' ' VAL . 71.3 m -81.13 85.93 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.951 ' O ' HG22 ' A' ' 72' ' ' VAL . 2.2 mt -57.39 -53.07 62.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.687 1.242 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.14 -5.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 144.76 47.25 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 40' ' ' ILE . 17.2 mt -108.49 173.2 6.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 0.799 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.57 149.66 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.085 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.7 pm0 -65.47 -12.44 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.21 -66.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.766 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.13 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.66 -84.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' A' ' 83' ' ' MET . 16.4 tt0 -45.81 -65.75 0.5 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.538 1.149 . . . . 0.0 110.196 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.627 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -71.15 11.34 0.43 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.751 ' SD ' HG23 ' A' ' 66' ' ' VAL . 48.1 ttp -117.82 -18.83 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.9 m -87.96 -53.34 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.97 59.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.775 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.87 -56.87 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.0 m 66.28 -59.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.155 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -73.13 -81.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.918 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 86' ' ' THR . 13.1 p -144.92 155.16 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -115.05 92.23 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.799 HG22 ' HB ' ' A' ' 14' ' ' THR . 5.7 p -94.27 109.02 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.432 1.082 . . . . 0.0 110.352 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.671 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -129.48 157.08 42.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.422 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.567 ' CG2' ' CG1' ' A' ' 13' ' ' ILE . 16.5 m -117.09 164.0 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 10' ' ' PRO . . . -140.94 127.36 19.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.11 92.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.74 113.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.92 171.1 12.06 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -174.97 143.02 0.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.607 0.828 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.574 HD13 ' H ' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -127.61 175.36 9.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.455 1.097 . . . . 0.0 109.433 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.323 -0.585 0 O-C-N 124.52 1.137 . . . . 0.0 110.944 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.33 10.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.93 157.86 39.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.48 -101.98 0.5 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.23 89.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 53.41 -178.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.6 175.4 8.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -156.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.496 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 1.5 mt-10 176.03 -57.11 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.597 1.186 . . . . 0.0 110.192 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.6 Cg_endo -74.95 128.38 11.48 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.504 1.791 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -125.43 122.07 35.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 12' ' ' ILE . 1.1 tt -89.35 113.63 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.526 HD12 ' CG2' ' A' ' 94' ' ' VAL . 2.5 mt -112.41 149.3 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.805 ' CB ' HG22 ' A' ' 91' ' ' THR . 59.6 p -123.54 110.8 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.62 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -96.16 114.9 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.63 ' HA ' HG23 ' A' ' 89' ' ' VAL . 25.7 m -93.47 161.8 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.807 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -97.36 105.66 17.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -56.28 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -75.54 -2.4 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 55.52 34.61 23.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.358 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.807 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -98.44 159.11 15.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -28.21 -61.95 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.58 -56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 69.83 57.35 7.21 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.428 1.08 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.623 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -121.19 162.12 20.7 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.412 0.713 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t -145.69 115.42 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.651 HD13 ' HE3' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.15 170.71 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 p -152.7 150.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.799 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -124.72 145.77 49.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.547 ' O ' HD13 ' A' ' 38' ' ' LEU . . . -117.96 145.73 44.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.76 142.97 28.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.55 -162.29 19.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.35 169.77 18.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.28 -68.47 2.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.587 1.179 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -133.45 62.05 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.297 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.65 138.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -118.96 -87.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -142.44 123.41 14.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.213 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.19 113.67 1.21 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.932 HG21 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -101.57 148.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 61.8 m-85 -150.2 165.54 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.02 121.54 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.2 OUTLIER -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.389 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.9 p 157.05 174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.623 HG12 ' CD2' ' A' ' 25' ' ' LEU . 21.1 m -92.43 127.4 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.504 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 18.2 t -41.45 -33.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 2.9 tptt 86.84 22.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.9 49.06 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -145.81 166.74 27.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.807 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -63.56 -56.27 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.62 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -68.48 -24.23 64.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.397 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -61.76 -52.67 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -80.98 -56.34 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.68 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.47 -57.2 10.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 55.42 45.13 25.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 110.188 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.5 mt -69.75 159.52 33.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.96 146.32 28.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.558 1.161 . . . . 0.0 109.201 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.82 114.82 26.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.0 18.25 4.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 32.8 m-20 -73.93 171.32 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 51.6 tt0 -120.92 107.42 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.932 HD23 HG21 ' A' ' 40' ' ' ILE . 2.0 tp -86.78 154.16 21.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -143.85 -42.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -116.08 167.17 11.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.84 HG23 ' SD ' ' A' ' 83' ' ' MET . 10.9 p -129.15 165.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.424 1.077 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.539 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.1 p-10 -71.13 127.35 32.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.488 ' HA3' ' CZ ' ' A' ' 69' ' ' ARG . . . 88.69 -16.21 54.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.77 ' NH1' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -145.4 117.42 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.624 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.5 m -85.06 82.46 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.626 1.204 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.974 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.7 mt -58.47 -53.52 57.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.18 -6.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.408 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 144.44 55.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.617 1.198 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.677 ' O ' HD11 ' A' ' 40' ' ' ILE . 24.5 mt -116.95 173.81 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.62 ' HA ' HD11 ' A' ' 38' ' ' LEU . 8.8 m -71.73 147.39 47.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.799 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -66.25 -9.98 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.631 1.207 . . . . 0.0 110.354 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' N ' HE21 ' A' ' 76' ' ' GLN . 50.0 mt-10 -43.36 -76.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -50.52 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.783 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.96 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.7 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -0.41 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.6 tt0 -42.88 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.77 HD12 ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -71.36 12.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.84 ' SD ' HG23 ' A' ' 66' ' ' VAL . 59.6 ttp -120.76 -14.32 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.075 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 80' ' ' ALA . 2.2 m -91.23 -52.32 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -67.77 53.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.213 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.834 ' OG1' HG13 ' A' ' 90' ' ' VAL . 1.8 m -89.62 -55.46 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.455 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER 31.46 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 152.81 -51.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.052 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.63 HG23 ' HA ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -177.24 122.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.834 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -113.77 101.48 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.824 ' C ' HD23 ' A' ' 92' ' ' LEU . 20.1 p -95.95 112.72 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.824 HD23 ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.13 153.76 44.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' CB ' ' OG ' ' A' ' 65' ' ' SER . 4.6 tt0 -96.49 107.7 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.526 ' CG2' HD12 ' A' ' 13' ' ' ILE . 26.2 m -113.36 163.7 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -138.74 133.09 31.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 136.65 47.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -159.35 -67.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.63 114.25 3.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -170.16 168.95 8.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 0.735 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 tt -170.82 158.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.419 1.074 . . . . 0.0 109.199 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 161.05 39.65 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -148.94 127.48 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 3' ' ' LEU . . . -128.24 145.6 16.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.665 1.228 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 179.25 162.22 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.968 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp 71.71 150.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.95 126.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 110.315 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -146.06 156.22 43.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.391 1.057 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER 166.95 174.3 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.868 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.02 130.92 13.7 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -147.1 168.21 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 12' ' ' ILE . 7.5 tt -90.36 108.95 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.756 HG12 HG22 ' A' ' 94' ' ' VAL . 2.6 mm -94.26 151.25 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.415 ' HB ' HG22 ' A' ' 91' ' ' THR . 3.5 t -138.56 117.09 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.607 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -112.05 148.72 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.713 HG23 HG12 ' A' ' 89' ' ' VAL . 22.5 m -125.32 148.4 48.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -77.2 101.94 6.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.63 -50.89 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -5.04 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.492 ' HA ' HD13 ' A' ' 17' ' ' LEU . 53.3 mt-30 54.0 40.07 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.813 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -91.52 36.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.137 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 76.95 -53.28 3.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.408 1.067 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.696 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.65 -79.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.054 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 86.32 57.65 2.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' CD2' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -124.46 166.48 15.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -148.04 121.37 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.078 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.539 HD13 HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -139.19 174.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.215 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.2 p -152.22 170.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' CB ' ' H ' ' A' ' 76' ' ' GLN . . . -142.89 146.29 33.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -122.24 150.91 41.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 109.385 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 120.37 10.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.41 94.69 0.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 36' ' ' ASP . . . -144.72 163.52 33.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 0.0 109.235 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.71 50.75 4.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -176.71 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 0.773 . . . . 0.0 110.272 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -157.29 137.42 12.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' LEU . 17.8 mtmt -91.19 36.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 74' ' ' LEU . 1.5 mt 168.76 120.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.075 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -153.37 120.8 1.08 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.813 HG21 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -107.08 147.22 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 55.2 m-85 -149.62 165.3 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 15.5 t -104.24 124.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 ttmm -73.87 -43.13 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.8 t 152.19 175.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 25' ' ' LEU . 18.8 m -87.56 131.75 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 13.7 t -45.94 -25.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 77.4 101.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.53 12.6 11.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -95.16 174.62 32.72 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.813 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -74.01 -58.03 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 0.818 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -76.41 -9.17 58.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.712 ' OD2' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -80.0 -53.69 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.712 HG23 ' OD2' ' A' ' 52' ' ' ASP . 99.4 t -75.89 -33.64 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -78.72 -48.77 14.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.59 -49.68 35.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.4 1.062 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 55.45 45.44 25.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 0.769 . . . . 0.0 110.267 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.99 163.73 23.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.344 1.027 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.25 162.96 12.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 109.261 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 44' ' ' SER . . . -92.74 122.34 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.447 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.52 6.17 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.408 1.068 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -73.73 114.93 12.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.635 0.844 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 10.6 tt0 -74.17 110.11 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.361 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -88.8 153.59 20.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 71' ' ' LEU . 1.3 mt -143.62 -40.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.505 ' OG ' ' HA ' ' A' ' 70' ' ' SER . 4.3 m -119.64 168.9 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.088 HG22 HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -121.26 -175.24 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.443 1.09 . . . . 0.0 109.427 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 91' ' ' THR . 63.1 t0 -65.33 113.64 4.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.96 13.42 8.48 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -129.71 72.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.362 0.683 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 2.5 p -63.05 115.37 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.088 HD11 HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -104.11 -33.49 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.904 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.23 -6.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 64' ' ' LEU . . . 140.33 59.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.382 1.051 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 57.1 mt -108.42 172.81 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.756 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 163.63 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -69.01 -12.11 61.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.04 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -51.03 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -51.16 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -8.19 -77.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' A' ' 83' ' ' MET . 18.0 tt0 -39.95 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -71.64 12.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.853 ' SD ' HG13 ' A' ' 66' ' ' VAL . 20.2 ttp -119.21 -6.17 10.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.0 m -106.64 -49.5 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -64.13 60.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.387 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.786 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -84.23 -52.88 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.1 m 34.59 57.86 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 159.17 -68.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.713 HG12 HG23 ' A' ' 16' ' ' THR . 3.3 m -149.13 149.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.786 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -119.51 101.93 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.063 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -101.79 136.41 41.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.063 HD23 ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -162.67 154.6 18.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.3 tt0 -95.54 109.41 21.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.756 HG22 HG12 ' A' ' 13' ' ' ILE . 19.1 m -120.53 170.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.868 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -138.07 114.69 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -70.88 109.19 4.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 179.46 85.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.68 -164.51 35.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.53 -51.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.319 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -170.86 118.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -37.92 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 pp -90.52 124.77 35.28 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.392 1.057 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.52 107.27 0.67 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.97 117.36 30.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 110.009 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 6' ' ' LEU . 8.1 tp -174.18 -73.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? 46.41 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 86.33 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -53.16 -51.22 77.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.244 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.792 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.06 172.18 16.87 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -165.19 157.53 15.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.439 HD13 ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -96.56 129.28 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 94' ' ' VAL . 1.4 mt -119.28 150.09 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.594 1.184 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.77 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.0 p -127.42 115.99 19.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.388 1.055 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.778 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.2 106.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -87.07 159.87 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -92.25 105.01 17.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -86.76 -52.84 5.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -95.44 -3.23 47.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.783 ' HA ' HD13 ' A' ' 17' ' ' LEU . 4.0 mt-30 52.2 41.04 30.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.863 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 57.3 t-20 -96.84 55.97 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 68.08 -72.72 0.29 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.955 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.37 -63.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 96.13 -14.07 65.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -57.9 152.35 16.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 m -144.85 108.94 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.904 HD12 HD22 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -126.97 170.22 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.41 156.62 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.307 1.004 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -125.8 136.84 53.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.53 87.41 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.18 140.15 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.36 94.04 0.02 OUTLIER Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.591 1.182 . . . . 0.0 110.97 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.13 118.25 6.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.552 0.795 . . . . 0.0 109.238 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.35 -80.06 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.415 1.072 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -128.68 56.9 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 64.73 114.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.054 . . . . 0.0 109.273 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 -178.49 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.94 HD21 ' HA ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER 177.31 94.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.379 1.05 . . . . 0.0 109.237 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -138.52 122.82 2.47 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.975 HG21 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -100.03 141.73 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 56.1 m-85 -147.62 163.28 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -100.62 123.19 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -75.13 -48.6 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.6 p 158.28 178.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 52' ' ' ASP . 19.1 t -100.19 144.02 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.646 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -58.87 -44.08 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 12.8 tptt 99.93 20.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.61 43.04 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -133.75 169.0 23.0 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.863 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -66.13 -63.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 0.755 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -70.01 -4.7 22.07 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.531 1.145 . . . . 0.0 109.394 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.567 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -78.04 -54.09 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 t -79.97 -30.78 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.61 -57.07 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.44 -59.92 8.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 55.59 44.15 27.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD1' HD11 ' A' ' 25' ' ' LEU . 5.5 mt -71.77 171.2 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.54 148.8 21.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.69 118.35 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.62 18.65 4.77 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 35.9 m-20 -74.7 170.7 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 38.4 tt0 -122.16 108.13 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.975 HD23 HG21 ' A' ' 40' ' ' ILE . 2.1 tp -86.18 153.78 21.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.83 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.2 mt -144.46 -39.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.87 165.44 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.84 HG21 ' HB1' ' A' ' 79' ' ' ALA . 7.1 p -129.46 166.4 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -71.06 129.09 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.408 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.74 -12.31 59.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 13.6 mtp180 -149.26 113.46 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 0.808 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.81 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.9 m -82.0 78.03 8.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.833 HD22 ' HB2' ' A' ' 74' ' ' LEU . 3.7 mt -52.21 -58.02 7.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 70' ' ' SER . 4.0 t 84.34 -9.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.466 ' C ' HD23 ' A' ' 74' ' ' LEU . . . 150.18 46.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.94 ' HA ' HD21 ' A' ' 38' ' ' LEU . 10.7 mt -107.45 172.22 6.95 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.54 0.788 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.43 146.95 44.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.417 1.073 . . . . 0.0 109.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -64.18 -10.27 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -42.57 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.84 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.71 -85.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.698 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 0.49 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.2 tt0 -43.94 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.26 12.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.76 ' SD ' HG23 ' A' ' 66' ' ' VAL . 50.0 ttp -119.75 -17.7 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.5 m -89.44 -55.41 3.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -66.1 60.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.81 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.67 -57.55 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 86' ' ' THR . 0.5 OUTLIER 66.01 -58.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.011 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 86' ' ' THR . 5.4 m -71.06 -80.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 86' ' ' THR . 5.6 p -146.64 152.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.955 HG11 ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -115.61 94.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.77 HG22 ' CB ' ' A' ' 14' ' ' THR . 6.9 p -97.54 109.51 22.25 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.407 1.067 . . . . 0.0 110.467 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.723 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -130.31 159.42 37.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.203 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.55 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 13' ' ' ILE . 5.4 m -117.51 158.87 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -127.78 122.84 33.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.4 147.44 31.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -166.15 -66.58 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.572 1.17 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.5 119.16 4.57 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.411 1.069 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.22 -177.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 0.709 . . . . 0.0 109.327 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.7 179.4 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 75.55 3.68 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.57 151.34 19.76 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.53 95.55 0.17 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -125.23 170.82 10.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -123.09 100.35 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.29 167.32 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 110.34 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.25 127.48 7.02 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -171.5 171.78 2.24 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.357 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 130.59 13.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 173.05 -175.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.209 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.767 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 120.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.767 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -107.27 148.81 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 91' ' ' THR . 74.4 p -132.58 114.41 14.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 51' ' ' ALA . 3.4 t -113.04 125.12 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.755 ' OG1' HG23 ' A' ' 89' ' ' VAL . 88.7 m -102.2 138.56 38.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.895 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.94 106.51 0.83 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -91.3 -50.58 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -86.19 -7.22 58.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 52.22 40.58 29.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.48 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 10.5 t30 -93.19 52.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' HD11 ' A' ' 17' ' ' LEU . . . 67.63 -59.01 0.32 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 168.93 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 89.48 32.62 10.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.0 mt -108.81 152.25 25.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 0.706 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -137.98 108.22 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.062 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.6 170.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.0 t -151.42 157.82 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 76' ' ' GLN . . . -139.47 133.66 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -108.13 156.39 19.35 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -128.46 165.69 20.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -166.64 -153.17 7.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.537 1.148 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.75 119.92 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.395 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.98 -77.47 0.68 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.43 89.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.18 -56.82 0.71 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -165.22 92.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD23 ' N ' ' A' ' 39' ' ' GLY . 0.7 OUTLIER -144.41 121.93 11.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.68 ' N ' HD23 ' A' ' 38' ' ' LEU . . . 161.88 173.4 30.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.409 1.068 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 41' ' ' TYR . 4.6 mt -109.73 166.39 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 69.3 m-85 -160.98 162.79 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -106.72 117.94 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.94 -52.91 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.625 1.203 . . . . 0.0 109.374 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 169.04 173.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 25' ' ' LEU . 17.2 m -101.48 135.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -40.37 -32.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 86.99 7.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -153.38 37.37 0.74 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.458 1.099 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -120.36 175.55 15.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.895 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -70.75 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 0.812 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . . . -67.54 -20.6 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.54 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -66.62 -52.74 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.512 HG23 ' OD2' ' A' ' 52' ' ' ASP . 46.5 t -78.53 -58.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.84 -52.59 56.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.265 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -66.17 -53.68 28.32 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.579 1.175 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 55.42 44.78 26.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 13' ' ' ILE . 12.0 mt -70.59 155.98 40.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.6 151.77 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -96.02 114.13 25.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.73 28.33 2.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.0 m-20 -92.73 157.11 16.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 109.352 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' ALA . 8.5 tt0 -101.84 116.84 33.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.045 HD11 ' HB3' ' A' ' 92' ' ' LEU . 1.5 tp -101.64 158.11 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.645 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -147.64 -32.58 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.619 1.2 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -111.44 152.35 27.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.4 OUTLIER -126.26 163.96 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.13 124.76 24.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 82' ' ' LEU . . . 91.59 -14.19 64.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.544 ' HB2' HG12 ' A' ' 66' ' ' VAL . 4.5 mtt180 -147.6 104.4 3.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.351 0.677 . . . . 0.0 110.364 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.508 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 16.5 m -73.16 61.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.751 ' O ' HG12 ' A' ' 72' ' ' VAL . 10.7 mp -37.99 -65.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 87.97 -10.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.24 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 64' ' ' LEU . . . 157.04 51.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.646 1.216 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.668 ' CB ' HD23 ' A' ' 71' ' ' LEU . 12.1 mt -120.87 172.36 7.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 0.817 . . . . 0.0 109.384 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 158.04 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 16.2 pt20 -82.61 -15.22 52.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 78' ' ' ARG . 1.2 tt0 -40.19 -55.53 2.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.626 HH12 HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -84.82 -56.06 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.729 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -45.98 -65.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.619 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -32.25 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.64 1.213 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 84' ' ' THR . 19.0 tt0 -36.27 -72.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.895 ' O ' HD13 ' A' ' 82' ' ' LEU . 1.7 tm? -44.85 -28.0 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.933 ' SD ' HD21 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -87.22 -30.35 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -52.35 -52.59 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.181 . . . . 0.0 110.481 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -70.58 57.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -82.17 -52.12 7.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 5.02 74.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.3 m 156.45 -47.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.755 HG23 ' OG1' ' A' ' 16' ' ' THR . 2.3 p -176.73 139.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.667 ' HB ' HG21 ' A' ' 86' ' ' THR . 1.4 p -131.27 146.66 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.927 ' C ' HD12 ' A' ' 92' ' ' LEU . 80.2 p -152.84 145.67 24.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.045 ' HB3' HD11 ' A' ' 63' ' ' LEU . 1.2 mp -151.45 164.97 35.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.631 1.207 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 15.2 tt0 -109.95 113.46 26.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.519 HG12 HD12 ' A' ' 63' ' ' LEU . 9.7 m -104.5 162.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.175 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -150.76 144.54 25.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.206 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 139.98 37.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.56 102.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.319 1.012 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.34 -96.09 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.32 108.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.443 0.731 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.1 tt -172.36 165.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 152.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.67 156.7 25.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.26 156.07 15.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -178.13 -177.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt 57.99 169.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -149.24 120.04 7.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.477 1.111 . . . . 0.0 110.222 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -124.56 178.44 5.42 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -43.78 -54.4 10.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.5 Cg_endo -74.98 117.23 4.84 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.502 1.79 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 171.15 -163.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' C ' HD13 ' A' ' 13' ' ' ILE . 18.1 tt -85.05 111.38 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.723 ' CG1' HG22 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -99.9 142.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.802 ' CB ' HG22 ' A' ' 91' ' ' THR . 0.5 OUTLIER -119.18 111.07 17.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -106.73 115.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.756 ' OG1' HG23 ' A' ' 89' ' ' VAL . 10.6 m -100.76 151.33 21.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.864 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -77.9 119.53 21.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -99.16 -49.77 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -93.77 -3.83 51.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 17' ' ' LEU . 6.7 mt-30 54.89 40.6 32.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.837 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 34.0 t-20 -90.1 43.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.416 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 72.02 -56.45 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.615 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.0 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 0.707 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 79.88 58.73 2.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.583 ' CD2' HG12 ' A' ' 45' ' ' VAL . 1.8 mt -124.28 159.77 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -144.51 109.18 4.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -131.41 171.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 p -151.44 159.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.824 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -139.22 127.83 23.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -102.17 153.85 19.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 168.92 17.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -38.08 118.23 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.64 121.13 14.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.585 0.815 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.74 -79.81 0.46 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.616 1.197 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 7.4 tt0 -114.69 -34.87 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 110.326 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' GLN . 1.4 m-20 155.22 129.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.351 1.032 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.74 70.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 30' ' ' ALA . 4.4 tp -108.92 134.82 51.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.06 148.79 5.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.063 HG21 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -106.59 145.29 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.583 ' CB ' HD11 ' A' ' 100' ' ' ILE . 55.6 m-85 -148.1 160.94 42.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 t -99.26 123.23 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' SER . 20.9 tptt -74.32 -51.32 15.55 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 168.11 173.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.959 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 25' ' ' LEU . 17.0 m -97.18 135.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.38 1.05 . . . . 0.0 109.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.505 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.4 t -39.75 -33.07 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.338 1.024 . . . . 0.0 109.284 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 14.0 tptt 86.81 5.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -149.99 36.18 0.97 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -119.63 174.46 15.49 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.864 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -73.74 -54.97 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -73.99 -11.32 60.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.202 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -78.92 -52.9 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' GLY . 22.7 t -80.34 -32.72 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 30.7 t70 -80.14 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.46 -50.61 63.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 55.47 46.0 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 0.708 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.7 mt -68.79 155.79 39.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.376 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.98 143.68 28.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.9 118.46 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.95 16.9 5.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 12.4 m-20 -73.61 170.86 14.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 38.0 tt0 -123.18 109.13 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.339 1.025 . . . . 0.0 110.223 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.063 HD23 HG21 ' A' ' 40' ' ' ILE . 1.7 tp -87.33 156.91 19.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -144.5 -40.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.723 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.34 166.05 14.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.837 HG12 ' O ' ' A' ' 69' ' ' ARG . 9.3 p -128.15 169.82 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.519 ' CA ' ' O ' ' A' ' 91' ' ' THR . 60.7 t0 -70.21 135.14 48.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.32 8.23 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.837 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.2 mtt85 -153.44 85.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -69.5 91.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.978 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -71.12 -51.76 23.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.978 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.08 -6.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.379 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 145.52 55.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.642 ' O ' HD11 ' A' ' 40' ' ' ILE . 18.8 mt -120.27 173.02 7.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 152.7 41.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.21 -8.56 32.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 36.6 mt-10 -40.9 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -59.57 4.78 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.808 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -47.24 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.719 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.4 -81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.6 tt0 -42.96 -68.04 0.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.776 HD13 ' NE ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -73.98 13.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.71 ' SD ' HG23 ' A' ' 66' ' ' VAL . 50.5 ttp -118.55 -13.43 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.4 m -97.64 -56.9 2.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -67.64 56.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 110.386 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.875 ' CB ' HG13 ' A' ' 90' ' ' VAL . 31.6 m -87.13 -54.39 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.2 m 32.42 82.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 87' ' ' SER . 2.1 t 151.26 -55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.955 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.756 HG23 ' OG1' ' A' ' 16' ' ' THR . 5.3 p -174.5 120.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.875 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -104.06 98.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.138 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' CB ' ' A' ' 14' ' ' THR . 3.3 p -95.19 109.85 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.514 HD23 ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -124.01 157.14 35.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 7.5 tm-20 -104.23 115.33 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.582 1.176 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.723 HG22 ' CG1' ' A' ' 13' ' ' ILE . 16.9 m -115.6 170.2 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 10' ' ' PRO . . . -150.34 147.99 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.373 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 137.06 10.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -178.53 149.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -132.96 116.89 1.84 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.598 1.187 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 176.78 178.97 0.22 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.493 0.761 . . . . 0.0 109.387 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.583 HD11 ' CB ' ' A' ' 41' ' ' TYR . 1.7 pt 41.17 85.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.377 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.59 7.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.354 1.712 . . . . 0.0 111.01 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.01 -66.81 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.64 104.8 1.01 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.45 175.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.037 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.74 -175.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -91.44 172.58 8.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 41.21 79.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -163.74 146.65 7.87 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -74.96 -170.35 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 1.8 tp10 82.4 -156.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.195 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tt -85.6 117.5 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.067 HD11 HG22 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -118.08 150.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.437 ' CB ' HG23 ' A' ' 91' ' ' THR . 11.2 t -127.56 134.7 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.939 HG13 HG23 ' A' ' 90' ' ' VAL . 12.3 p -123.1 156.38 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.025 HG23 HG23 ' A' ' 89' ' ' VAL . 10.6 m -136.63 140.33 42.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -58.11 87.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -74.72 -60.41 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -6.4 57.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 17' ' ' LEU . 6.5 mt-30 52.83 41.26 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.299 0.999 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.541 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.1 t30 -100.93 54.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 67.84 -60.02 0.35 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.472 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 167.27 -70.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.636 0.845 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' HA2' HG21 ' A' ' 46' ' ' VAL . . . 74.63 74.34 0.87 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 25' ' ' LEU . 13.4 mt -140.65 160.51 39.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.438 0.728 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.46 110.49 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.055 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.52 168.02 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -151.09 142.71 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.871 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -131.89 129.54 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.204 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -110.65 154.97 23.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.4 168.05 14.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.19 140.94 3.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.398 1.061 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.83 138.8 39.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 75.29 -73.07 1.61 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -55.05 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.6 m-20 -40.68 115.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.72 -43.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD12 ' H ' ' A' ' 39' ' ' GLY . 1.8 tp -41.42 149.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.486 1.116 . . . . 0.0 109.218 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.553 ' H ' HD12 ' A' ' 38' ' ' LEU . . . 139.38 158.05 7.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.033 HG21 HD23 ' A' ' 63' ' ' LEU . 1.7 mt -101.91 164.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.525 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 54.3 m-85 -157.97 172.86 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 55.4 t -112.32 118.05 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -74.96 -45.46 42.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 p 159.96 172.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 5.7 m -95.92 144.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.6 t -50.14 -30.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 18.4 tptt 87.55 8.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.34 38.28 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -126.87 176.08 17.8 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.11 -71.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.803 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -56.16 -34.6 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.93 -54.64 27.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.483 HG23 ' OD2' ' A' ' 52' ' ' ASP . 62.2 t -80.83 -70.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.624 1.203 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -45.93 -61.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -55.45 -56.58 22.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.65 44.19 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.51 154.38 41.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.232 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 151.29 34.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.21 114.81 27.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 122.99 9.12 6.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.436 1.085 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -74.77 168.41 19.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.525 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 4.0 tt0 -114.05 110.71 20.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.033 HD23 HG21 ' A' ' 40' ' ' ILE . 4.6 tp -91.83 158.66 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.22 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -148.76 -30.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.916 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -114.66 145.86 41.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.95 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -120.32 159.02 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' HB2' ' CB ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -70.94 113.29 7.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 109.203 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.45 -15.57 27.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 71' ' ' LEU . 1.8 mtp85 -151.21 112.29 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.235 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.978 ' O ' HG23 ' A' ' 72' ' ' VAL . 50.3 m -71.05 59.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 79' ' ' ALA . 9.9 mp -37.81 -65.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 70' ' ' SER . 38.4 t 71.8 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.523 ' HA2' ' CD1' ' A' ' 64' ' ' LEU . . . 167.49 51.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 9.7 mt -130.57 169.89 14.99 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 0.787 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.81 162.46 22.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 6.0 pt20 -82.84 -10.93 58.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.06 -61.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.502 HH12 HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -82.42 -48.41 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.321 1.013 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.847 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -51.2 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -27.01 -63.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.98 -69.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -59.18 -11.96 4.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.95 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.62 -11.46 22.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 80' ' ' ALA . 32.0 m -83.03 -56.01 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -67.61 58.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 89' ' ' VAL . 1.2 m -86.74 -56.21 3.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 26.81 71.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 156.94 -66.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.025 HG23 HG23 ' A' ' 16' ' ' THR . 0.3 OUTLIER -154.57 137.83 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.939 HG23 HG13 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -120.48 162.77 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.496 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -151.12 136.35 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' A' ' 63' ' ' LEU . 5.1 mp -150.62 135.73 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.4 tt0 -102.8 108.6 19.89 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.067 HG22 HD11 ' A' ' 13' ' ' ILE . 2.9 m -100.32 166.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -151.47 160.37 43.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.03 125.44 31.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.54 -53.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.191 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.73 -166.33 19.56 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.598 1.186 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 100' ' ' ILE . . . -164.92 117.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 99' ' ' ALA . 8.9 pt 49.36 -166.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 41.8 p90 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.052 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 141.32 26.47 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.58 112.22 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.64 1.213 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.4 -145.3 6.96 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.145 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -126.07 128.9 48.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 0.713 . . . . 0.0 110.064 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -47.0 131.85 12.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 175.02 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.231 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.75 91.78 5.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER 168.23 174.17 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.377 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 9' ' ' GLU . 18.2 Cg_endo -75.05 162.1 37.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.59 1.837 . . . . 0.0 111.048 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -145.43 135.48 23.77 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.693 1.245 . . . . 0.0 110.378 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -90.57 113.67 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 94' ' ' VAL . 4.1 mm -110.57 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.716 ' CB ' HG22 ' A' ' 91' ' ' THR . 1.5 t -134.18 131.53 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -120.89 108.23 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.2 m -92.08 146.77 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.937 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -74.59 104.83 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.62 -52.25 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -97.88 -3.86 37.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.325 1.015 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.831 ' HA ' HD13 ' A' ' 17' ' ' LEU . 37.7 mt-30 52.28 41.94 30.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.851 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 58.6 t-20 -90.64 38.4 0.94 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 88.16 -72.2 2.43 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.425 1.078 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.514 ' HE3' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER 170.68 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.789 ' O ' HG13 ' A' ' 45' ' ' VAL . . . 84.27 58.95 2.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.39 1.057 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.969 HD23 HG22 ' A' ' 45' ' ' VAL . 21.1 mt -130.5 154.73 47.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 109.367 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -144.61 116.17 8.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.052 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.969 HD12 HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -138.82 172.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.223 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 29' ' ' ALA . 74.7 t -152.66 166.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.736 ' HB3' ' HG3' ' A' ' 76' ' ' GLN . . . -138.72 131.5 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -155.72 -100.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HA ' ' N ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -145.3 166.1 26.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' O ' ' OH ' ' A' ' 41' ' ' TYR . . . 114.34 30.84 2.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.568 ' HB3' ' HA2' ' A' ' 39' ' ' GLY . . . -150.69 165.64 32.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.747 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.49 -84.03 0.14 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.563 1.164 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -120.37 -35.61 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 110.366 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.61 -33.84 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -105.95 144.79 32.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 77.77 91.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.568 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . -146.29 127.04 2.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.638 1.212 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.047 HG21 HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -101.98 150.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 58.2 m-85 -150.67 161.8 41.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -102.93 123.19 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.9 tppt? -74.56 -51.55 14.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.3 p 160.79 176.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.969 HG22 HD23 ' A' ' 25' ' ' LEU . 11.2 t -90.42 150.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 14.0 t -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 45' ' ' VAL . 6.0 tptt 94.36 31.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -167.87 48.43 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.41 168.22 25.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.937 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.82 -60.45 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -71.7 -5.68 35.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.725 ' OD1' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -76.77 -54.1 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 t -81.3 -32.3 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.6 -60.55 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -49.78 -57.02 10.2 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.574 1.171 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 55.18 44.64 27.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 0.79 . . . . 0.0 110.222 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.33 157.27 38.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.03 15.05 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.49 117.59 34.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.99 16.29 5.85 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -74.77 116.63 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 0.818 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 8.9 tt0 -73.32 112.02 8.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.047 HD23 HG21 ' A' ' 40' ' ' ILE . 1.7 tp -92.25 154.89 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -147.45 -37.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -111.25 155.19 23.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.844 HG21 ' HB1' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -125.3 161.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.494 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.1 t0 -70.64 123.71 22.52 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.19 72.75 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.9 mtt180 -150.38 118.41 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.8 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.735 ' O ' HG13 ' A' ' 72' ' ' VAL . 24.3 p -82.04 77.27 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.95 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.848 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.9 mp -55.67 -51.52 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER 75.57 -6.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 144.65 55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.799 ' CB ' HD23 ' A' ' 71' ' ' LEU . 14.5 mt -116.82 173.71 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 0.805 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.476 ' N ' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -73.0 155.64 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.736 ' HG3' ' HB3' ' A' ' 29' ' ' ALA . 3.3 pp0? -72.68 -6.21 42.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -44.31 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.395 1.06 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -51.08 60.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.201 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.844 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -49.13 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.04 . . . . 0.0 109.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -10.67 -75.34 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.393 1.058 . . . . 0.0 109.42 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 83' ' ' MET . 4.5 tm-20 -43.3 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.04 11.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.692 1.245 . . . . 0.0 109.304 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.803 ' SD ' HG23 ' A' ' 66' ' ' VAL . 45.6 ttp -118.6 -10.0 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -100.21 -47.28 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 ttp-105 -66.53 59.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.912 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.41 -53.68 5.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.466 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 30.99 47.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.937 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 86' ' ' THR . 2.3 m 175.13 -67.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 86' ' ' THR . 12.3 p -152.91 155.34 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.912 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.75 92.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.216 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.716 HG22 ' CB ' ' A' ' 14' ' ' THR . 1.7 p -93.96 110.56 22.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.438 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.685 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -135.4 158.75 43.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.565 ' OE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -100.11 111.46 23.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 13' ' ' ILE . 26.6 m -112.78 169.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . -138.79 119.87 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.11 173.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 78.11 132.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.86 -67.06 0.33 Allowed Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.665 1.228 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 59.84 110.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 0.719 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.9 tp -167.53 131.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.224 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.645 ' C ' HD12 ' A' ' 3' ' ' LEU . 18.4 Cg_endo -75.11 -179.39 4.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 2' ' ' PRO . 6.0 mp -135.62 -63.12 0.68 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.93 179.53 0.38 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.516 1.135 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 p -140.09 170.83 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.797 . . . . 0.0 109.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.46 97.0 6.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.189 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.82 -175.28 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 141.4 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.373 1.046 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -178.84 161.59 1.06 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.741 ' O ' HD11 ' A' ' 13' ' ' ILE . 18.2 Cg_endo -75.05 -170.44 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 3.3 tt0 82.96 -157.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.765 ' O ' HD13 ' A' ' 13' ' ' ILE . 9.4 tt -75.74 115.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.765 HD13 ' O ' ' A' ' 12' ' ' ILE . 1.9 mm -124.73 148.65 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.749 HG22 ' CG2' ' A' ' 91' ' ' THR . 39.8 p -120.3 123.53 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.384 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG11 ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.42 129.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.352 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.701 ' OG1' HG23 ' A' ' 89' ' ' VAL . 21.0 m -120.97 131.05 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -53.01 112.79 0.92 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.07 -47.59 5.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -94.3 -2.97 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 53.01 39.27 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.701 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 53.4 t-20 -92.56 49.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 68.5 -59.66 0.46 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.453 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 166.91 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.36 74.68 0.75 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.588 ' CD2' HG12 ' A' ' 45' ' ' VAL . 3.9 mt -139.9 165.89 26.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.817 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.9 t -147.13 115.18 6.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.38 1.05 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' HE1' ' A' ' 83' ' ' MET . 0.6 OUTLIER -133.23 172.34 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -150.55 142.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.75 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -129.1 125.64 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -96.62 135.45 38.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -151.22 123.87 8.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . 36.19 45.92 0.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.062 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.33 167.17 18.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 0.792 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.25 53.58 4.44 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 21.3 tp60 -154.77 89.46 1.24 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.428 0.722 . . . . 0.0 110.343 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 35' ' ' GLN . 1.8 t0 80.02 -158.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -125.12 43.18 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 39' ' ' GLY . 1.9 tt 82.48 133.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.772 ' N ' HD23 ' A' ' 38' ' ' LEU . . . 156.94 156.22 7.79 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.398 1.061 . . . . 0.0 111.079 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.781 HG21 HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -105.08 156.47 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.627 0.839 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 59.7 m-85 -154.65 166.74 32.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.86 120.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.9 tppt? -75.47 -45.58 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.2 p 158.39 173.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.588 HG12 ' CD2' ' A' ' 25' ' ' LEU . 5.0 m -89.7 143.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.49 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 2.7 t -52.7 -23.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.365 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER 78.45 15.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -159.07 40.03 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -133.7 173.68 21.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.886 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.05 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.483 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -57.53 -29.29 64.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -57.34 -53.97 52.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG23 ' OD2' ' A' ' 52' ' ' ASP . 47.7 t -80.75 -64.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -49.76 -61.27 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -54.15 37.38 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 55.53 44.48 26.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.39 152.39 44.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.379 1.049 . . . . 0.0 109.328 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . . . -82.85 164.68 20.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.07 120.72 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.02 19.54 5.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -82.63 118.4 23.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.51 ' OE1' ' HB3' ' A' ' 95' ' ' ALA . 6.0 tt0 -74.31 112.51 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.781 HD23 HG21 ' A' ' 40' ' ' ILE . 2.9 tp -94.58 154.81 17.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.33 -34.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.516 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -113.21 157.01 22.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.089 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.948 HG23 HD13 ' A' ' 71' ' ' LEU . 5.0 t -125.01 173.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.604 ' H ' HG12 ' A' ' 66' ' ' VAL . 45.0 t0 -62.15 136.1 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 46.03 18.9 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 71' ' ' LEU . 12.1 mtp180 -151.26 77.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.408 0.711 . . . . 0.0 110.233 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 65' ' ' SER . 41.9 m -63.29 77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.948 HD13 HG23 ' A' ' 66' ' ' VAL . 8.9 mp -54.31 -52.01 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 85.59 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 144.77 54.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.708 ' CB ' HD23 ' A' ' 71' ' ' LEU . 14.4 mt -115.0 175.34 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.26 165.07 23.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.938 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.555 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -78.24 -15.6 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 2.0 mm-40 -39.43 -71.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -40.21 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.878 ' HB2' HG21 ' A' ' 66' ' ' VAL . . . -56.02 -91.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.697 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.06 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.9 tt0 -37.68 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -73.2 15.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.81 ' SD ' HG13 ' A' ' 66' ' ' VAL . 42.9 ttp -122.65 -4.77 8.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.455 1.097 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -107.18 -48.23 3.51 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -64.7 60.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.665 ' OG1' HG23 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.56 -54.36 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 30.29 52.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.8 m 164.81 -61.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.701 HG23 ' OG1' ' A' ' 16' ' ' THR . 13.1 p -158.61 140.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.665 HG23 ' OG1' ' A' ' 86' ' ' THR . 0.5 OUTLIER -129.6 112.41 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.749 ' CG2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER -95.46 163.68 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 110.445 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.742 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -168.17 139.57 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.403 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -105.16 107.18 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 4.0 m -104.79 169.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 62' ' ' GLN . . . -151.82 143.99 23.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -70.3 117.55 12.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -147.46 -47.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.56 176.58 14.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.463 1.102 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.11 167.74 10.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.42 0.718 . . . . 0.0 109.268 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.04 134.53 59.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.219 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 117.5 4.91 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.37 1.721 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.85 158.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.195 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.28 92.45 1.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.88 169.27 11.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 0.794 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.5 172.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 68.65 166.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -61.35 -61.21 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 63.76 159.95 0.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HB3' ' HA ' ' A' ' 95' ' ' ALA . 18.5 Cg_endo -74.89 131.74 14.77 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 178.96 -164.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.564 ' C ' HD13 ' A' ' 13' ' ' ILE . 20.6 tt -92.12 129.34 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.671 HG12 HG22 ' A' ' 94' ' ' VAL . 1.6 mm -116.04 145.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.587 HG22 HG22 ' A' ' 91' ' ' THR . 72.1 p -122.54 118.18 27.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.71 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -110.33 109.18 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 m -94.59 153.85 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -83.3 102.29 11.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.394 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -85.76 -52.6 5.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.39 -5.97 53.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.5 mm100 54.08 40.17 31.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.626 1.204 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.829 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 55.4 m-20 -89.21 40.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 78.05 -60.39 3.85 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.158 . . . . 0.0 111.054 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.665 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.33 -70.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 78.91 47.36 7.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.769 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -116.67 161.26 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.2 t -144.32 117.19 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 110.071 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.516 HG12 ' CE ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -124.57 172.14 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 27' ' ' ILE . 47.6 t -153.63 148.64 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -129.33 137.95 51.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -115.56 160.89 19.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -147.93 110.23 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.71 88.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.29 125.02 11.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.12 -81.88 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -165.38 72.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.363 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.34 147.99 4.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.61 88.09 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 30' ' ' ALA . 2.4 tp 68.06 146.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.35 119.49 0.89 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD11 ' O ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -102.83 138.83 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.611 0.83 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 51.0 m-85 -145.72 156.56 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 9.6 t -89.89 123.52 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 44' ' ' SER . 4.0 tttp -72.96 -43.55 62.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.5 p 151.62 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.624 1.202 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG12 ' CD2' ' A' ' 25' ' ' LEU . 20.8 m -93.66 154.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 55.5 t -71.65 -5.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 2.9 pttt 53.37 30.93 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.96 30.94 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.593 1.183 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -125.53 174.85 17.52 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.851 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -74.27 -62.1 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.71 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -66.79 -10.16 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.605 1.19 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -81.14 -52.67 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.387 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 ' OD2' ' A' ' 52' ' ' ASP . 77.1 t -74.37 -36.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.5 -48.85 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.625 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -67.3 -45.49 79.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 46.91 41.36 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 110.328 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD12 HD11 ' A' ' 25' ' ' LEU . 11.3 mt -70.22 150.52 46.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.2 162.14 17.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 44' ' ' SER . . . -90.22 123.95 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 9.34 8.54 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.5 m-20 -73.63 115.9 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 10.8 tt0 -73.74 110.48 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.66 152.23 21.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -143.06 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.84 160.62 19.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.569 1.168 . . . . 0.0 110.035 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.74 HG13 ' HB2' ' A' ' 69' ' ' ARG . 13.3 p -129.89 168.65 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' CA ' ' O ' ' A' ' 91' ' ' THR . 57.8 t0 -72.54 128.0 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.59 3.38 86.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.74 ' HB2' HG13 ' A' ' 66' ' ' VAL . 24.1 mtt-85 -152.25 122.45 7.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.76 ' O ' HG13 ' A' ' 72' ' ' VAL . 67.6 m -89.99 70.48 7.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 79' ' ' ALA . 77.7 mt -54.1 -56.9 13.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.902 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.31 -6.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.518 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 142.85 52.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.927 ' HB2' HD22 ' A' ' 71' ' ' LEU . 46.3 mt -113.17 175.62 5.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.427 0.722 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.84 153.38 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -65.98 -10.73 42.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.85 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.564 ' NH1' HD13 ' A' ' 74' ' ' LEU . 18.1 mtt180 -52.97 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' ' 71' ' ' LEU . . . -45.59 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.722 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.01 -83.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.4 tt0 -45.55 -64.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.31 11.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.689 ' SD ' HG23 ' A' ' 66' ' ' VAL . 12.2 ttp -117.95 -14.85 10.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.369 1.043 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.7 m -96.42 -51.49 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.368 1.042 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -66.07 63.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.896 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.36 -53.3 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 33.35 58.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.5 OUTLIER 163.54 -66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 86' ' ' THR . 7.7 p -155.6 156.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.896 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.4 89.9 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.587 HG22 HG22 ' A' ' 14' ' ' THR . 2.8 p -91.34 111.77 23.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.451 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.612 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -132.37 156.24 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -102.55 124.63 48.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.671 HG22 HG12 ' A' ' 13' ' ' ILE . 13.2 m -124.8 166.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.211 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 10' ' ' PRO . . . -147.88 128.6 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 117.2 4.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -139.21 -74.23 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.562 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . 130.06 131.43 3.33 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 124.559 1.162 . . . . 0.0 111.099 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 172.4 -171.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 0.733 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 tp -160.46 -48.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 -38.78 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.475 1.776 . . . . 0.0 110.941 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 64.05 113.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.617 1.198 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.36 144.14 3.85 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.334 1.021 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -86.51 145.49 26.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.606 0.827 . . . . 0.0 110.088 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -43.11 157.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.63 144.36 15.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -64.15 -61.02 2.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.064 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.02 165.2 0.14 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.871 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 17.9 Cg_endo -75.18 175.49 11.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.905 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.61 151.89 30.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -81.52 108.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.556 HG13 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -99.88 149.76 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.713 ' CB ' HG22 ' A' ' 91' ' ' THR . 67.1 p -136.68 141.6 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.362 1.039 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 90' ' ' VAL . 7.3 p -142.35 150.53 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.908 HG22 HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -115.56 154.31 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.385 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD11 ' C ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -75.46 82.62 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -70.6 -64.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.405 1.065 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -71.87 -6.83 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.83 40.47 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' HA2' ' A' ' 49' ' ' GLY . 27.3 m-20 -92.72 29.47 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.817 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 81.3 -49.31 3.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.523 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.28 -78.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 85.15 55.76 2.56 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.548 1.155 . . . . 0.0 111.074 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 25' ' ' LEU . 10.0 mt -126.43 150.04 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -133.63 119.33 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.12 164.5 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -151.07 136.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.701 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -124.41 136.27 53.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -105.72 146.65 29.51 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 123.31 8.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 41.92 49.82 5.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.408 1.068 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.89 170.54 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.33 57.67 3.28 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.86 87.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 0.733 . . . . 0.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 24.7 t70 66.52 171.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.3 61.82 3.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 39' ' ' GLY . 2.3 tt 66.01 129.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.798 ' N ' HD23 ' A' ' 38' ' ' LEU . . . 167.27 170.19 31.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.8 HD11 ' O ' ' A' ' 74' ' ' LEU . 5.7 mt -109.8 167.47 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 65.0 m-85 -163.5 168.11 20.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' ASP . 25.4 t -107.45 120.21 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.396 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.0 tptt -73.96 -43.46 58.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.2 t 154.42 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -88.16 139.71 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -47.43 -31.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 17.7 tptt 90.32 3.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -152.04 43.81 0.66 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -131.2 176.07 19.24 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.24 -70.85 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 0.809 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.678 ' HA ' HG21 ' A' ' 15' ' ' VAL . . . -57.43 -34.28 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.77 -54.72 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.349 1.03 . . . . 0.0 109.204 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.07 -70.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.612 1.195 . . . . 0.0 109.239 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.57 -61.6 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -52.57 48.16 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 55.46 44.67 26.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.89 164.84 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.42 171.96 8.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.53 133.09 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.88 19.43 10.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -84.19 118.92 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 1.4 tt0 -73.88 121.7 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.998 HD11 ' HB2' ' A' ' 92' ' ' LEU . 1.9 tp -101.8 157.29 16.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.804 HD23 ' HA2' ' A' ' 73' ' ' GLY . 5.2 mt -140.14 -38.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.583 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -110.46 156.7 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.937 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.957 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -129.17 158.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.383 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -69.83 125.73 27.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.219 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 -15.71 62.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -150.6 114.43 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.785 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.5 p -81.39 74.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.955 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.31 -54.78 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.955 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.63 -5.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.804 ' HA2' HD23 ' A' ' 64' ' ' LEU . . . 153.23 53.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.531 1.145 . . . . 0.0 111.083 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.8 ' O ' HD11 ' A' ' 40' ' ' ILE . 6.2 mt -125.15 173.26 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.48 ' CB ' ' CD ' ' A' ' 77' ' ' GLU . 3.4 m -73.71 156.01 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.71 HE21 ' N ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -82.48 -11.24 58.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.71 ' N ' HE21 ' A' ' 76' ' ' GLN . 1.9 pt-20 -41.02 -57.58 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.14 -52.47 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.888 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -50.52 -72.45 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -28.54 -58.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 109.425 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -42.88 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.208 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.76 -6.68 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.957 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.85 -14.6 19.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 80' ' ' ALA . 6.6 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -67.79 59.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.769 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.7 -55.52 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 31.52 53.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.964 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.95 -63.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.09 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.908 HG23 HG22 ' A' ' 16' ' ' THR . 0.5 OUTLIER -157.85 151.3 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.769 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.88 143.76 40.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.713 HG22 ' CB ' ' A' ' 14' ' ' THR . 35.7 p -151.06 129.41 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.998 ' HB2' HD11 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -155.61 151.64 27.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.6 tt0 -86.82 120.5 28.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 13' ' ' ILE . 5.2 m -114.86 171.41 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 109.221 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -144.43 109.82 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.86 159.96 29.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 177.53 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 110.27 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . 103.64 -178.98 25.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . 72.33 152.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -151.33 120.37 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.391 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.7 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.059 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 172.19 16.84 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.546 1.813 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.44 168.46 13.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.43 -173.15 32.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.03 133.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 0.824 . . . . 0.0 109.889 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER 61.35 119.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.49 79.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -95.85 -76.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -40.96 -52.57 6.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.5 Cg_endo -75.08 108.96 2.84 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 173.1 -160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 12' ' ' ILE . 19.5 tt -92.61 111.38 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -102.17 145.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.615 1.197 . . . . 0.0 109.272 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.775 ' CB ' HG22 ' A' ' 91' ' ' THR . 21.3 p -119.61 112.84 19.82 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.611 1.195 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.835 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -105.79 109.23 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -95.18 146.07 24.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -75.76 107.06 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.36 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -47.59 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -91.38 -3.55 56.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 53.21 41.01 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.762 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.8 t-20 -91.83 34.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.558 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 76.43 -53.47 3.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.55 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.3 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 87.15 46.95 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.756 HD22 HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -115.36 164.02 14.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -146.36 110.84 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.928 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.033 HD11 ' CD ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -126.54 177.46 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.741 ' O ' HG22 ' A' ' 40' ' ' ILE . 4.2 p -153.17 161.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.402 1.064 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -142.32 120.15 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.234 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -99.87 165.54 11.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.227 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.01 170.41 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.464 ' N ' ' HB2' ' A' ' 38' ' ' LEU . . . 122.18 -113.97 2.37 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.471 1.107 . . . . 0.0 111.067 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.827 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . . . -102.79 145.94 29.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 0.763 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.494 ' O ' ' CG ' ' A' ' 35' ' ' GLN . . . -78.85 52.4 3.93 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 34' ' ' GLY . 0.7 OUTLIER 173.79 -33.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 110.334 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.827 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 20.6 m-20 -87.67 -72.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.612 1.195 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -104.42 -75.05 0.63 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -37.15 136.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.068 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 160.43 -169.86 36.31 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.14 140.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 28.8 m-85 -140.64 161.09 38.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.91 120.19 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.2 tttt -73.5 -42.6 61.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 154.04 173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.756 HG12 HD22 ' A' ' 25' ' ' LEU . 14.1 m -97.49 136.49 28.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.0 t -40.31 -30.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.415 1.072 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.3 tptt 80.71 11.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.8 34.73 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.95 177.84 16.49 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.829 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -74.1 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 0.8 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.835 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -67.92 -8.32 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -53.56 6.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.472 HG23 ' OD2' ' A' ' 52' ' ' ASP . 93.8 t -76.23 -31.21 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.33 -42.74 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.56 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -75.62 -44.11 21.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 47.99 42.44 16.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.226 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 HD11 ' A' ' 25' ' ' LEU . 34.9 mt -67.82 154.49 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.23 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 163.24 24.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -103.55 116.7 32.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.608 1.192 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.09 16.34 5.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 19.4 m-20 -74.41 170.53 15.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 35.7 tt0 -120.59 111.64 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.707 HD23 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -88.62 149.81 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -141.74 -34.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.622 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -115.06 153.41 30.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.832 HG21 ' CB ' ' A' ' 79' ' ' ALA . 3.7 p -126.18 155.19 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.615 ' H ' HD12 ' A' ' 92' ' ' LEU . 49.4 t0 -66.25 122.64 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.51 -24.43 32.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.1 mtp85 -139.51 118.69 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.725 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -78.12 76.0 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 72' ' ' VAL . 81.6 mt -54.97 -55.7 27.84 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.8 -8.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 109.275 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 147.71 54.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.857 ' HB2' HD22 ' A' ' 71' ' ' LEU . 12.2 mt -116.76 174.0 6.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 0.802 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.8 167.69 19.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 1.033 ' CD ' HD11 ' A' ' 27' ' ' ILE . 1.6 mm100 -74.52 -11.37 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.24 -71.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -53.88 53.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.832 ' CB ' HG21 ' A' ' 66' ' ' VAL . . . -50.81 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 2.49 -80.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.379 1.049 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.643 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.9 tt0 -52.61 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.54 20.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.789 ' HE2' HD13 ' A' ' 27' ' ' ILE . 3.3 tpt -121.8 -29.39 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.558 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 1.3 m -89.78 -52.25 5.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -64.33 67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 1.003 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -83.73 -51.27 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.5 OUTLIER 34.62 58.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.085 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 161.33 -64.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.058 . . . . 0.0 110.039 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.549 ' N ' HG23 ' A' ' 86' ' ' THR . 11.6 p -164.12 152.3 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.003 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -121.22 94.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.057 ' C ' HD13 ' A' ' 92' ' ' LEU . 5.4 p -94.36 104.74 16.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.057 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -121.29 167.37 12.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 64' ' ' LEU . 44.2 tt0 -116.6 111.82 20.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 13' ' ' ILE . 16.8 m -112.03 164.9 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.371 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.91 150.46 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? 62.02 160.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -94.37 -79.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.192 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.4 -167.57 24.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.56 1.163 . . . . 0.0 111.053 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -150.23 171.08 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 109.299 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -136.08 104.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CD1' ' C ' ' A' ' 101' ' ' TYR . 2.0 p90 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 155.24 43.52 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 3' ' ' LEU . 4.5 tt -179.63 143.74 0.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.43 146.69 13.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -178.52 84.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 0.805 . . . . 0.0 109.903 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.05 114.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.51 159.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.35 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -49.23 111.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.626 1.204 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 162.67 171.35 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.622 1.201 . . . . 0.0 110.311 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.812 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -74.98 101.04 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.3 165.93 13.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' ILE . 15.1 tt -92.6 110.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.735 HG13 HG22 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -97.8 145.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.815 ' CB ' HG22 ' A' ' 91' ' ' THR . 16.7 p -132.87 110.31 10.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.842 HG13 HG23 ' A' ' 90' ' ' VAL . 8.6 p -114.5 125.81 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' LYS . 93.8 m -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 110.409 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -59.13 85.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -67.25 -69.27 0.32 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.381 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -77.21 -7.08 55.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.65 ' HA ' HD13 ' A' ' 17' ' ' LEU . 29.1 mt-30 53.06 41.23 32.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' MET . 5.4 m-20 -105.1 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.255 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 66.55 -65.8 0.17 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.534 ' HE3' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER 165.48 -65.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.917 ' O ' HG13 ' A' ' 45' ' ' VAL . . . 79.31 79.34 0.82 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 45' ' ' VAL . 7.1 mt -152.45 152.44 31.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.781 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.23 109.23 5.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.539 1.149 . . . . 0.0 109.952 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' A' ' 63' ' ' LEU . 1.3 pt -121.54 175.38 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.05 142.13 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.616 1.197 . . . . 0.0 109.349 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -127.27 123.64 36.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -98.52 157.04 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HA ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -117.07 169.11 9.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.594 1.184 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.27 -147.5 17.85 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.379 1.049 . . . . 0.0 111.038 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.27 137.77 43.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.226 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.687 ' HA2' HD12 ' A' ' 38' ' ' LEU . . . -74.54 54.7 2.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.084 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 175.53 40.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 110.378 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.28 -58.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 mtmm -130.49 -54.85 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD12 ' HA2' ' A' ' 34' ' ' GLY . 2.0 tm? -37.71 120.76 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' N ' HD22 ' A' ' 38' ' ' LEU . . . 156.66 153.78 6.77 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.952 HG21 HD23 ' A' ' 63' ' ' LEU . 1.4 mt -102.05 155.02 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.464 0.743 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 66.4 m-85 -159.12 165.82 32.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.355 1.034 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 15.3 t -103.09 124.63 57.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' O ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -80.98 -55.11 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 173.95 173.79 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 24' ' ' GLY . 8.2 t -96.99 149.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.058 . . . . 0.0 109.203 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.8 t -65.54 -16.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER 71.51 21.16 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -160.66 61.48 0.29 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -152.75 177.58 30.36 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -67.71 -64.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -67.1 -8.2 28.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.796 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.63 -56.25 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 t -81.34 -34.5 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.36 -60.21 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.61 -57.7 18.45 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 56.47 42.85 26.89 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 0.78 . . . . 0.0 110.261 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.16 169.15 15.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.38 171.16 7.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -94.28 127.59 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.77 8.25 8.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m-20 -75.07 112.1 10.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 55.6 tt0 -73.86 116.76 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.952 HD23 HG21 ' A' ' 40' ' ' ILE . 3.0 tp -97.64 155.56 16.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.621 HD23 ' CA ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -146.29 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.98 160.58 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.095 . . . . 0.0 109.961 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.809 HG23 ' SD ' ' A' ' 83' ' ' MET . 2.2 p -130.81 169.81 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.4 t0 -71.41 131.52 43.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 69' ' ' ARG . . . 76.83 -5.86 44.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.602 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -150.1 116.57 5.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 0.777 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LEU . 58.3 p -86.66 65.13 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.814 ' O ' HG12 ' A' ' 72' ' ' VAL . 7.9 mp -37.31 -55.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.814 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 82.76 -5.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.407 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.621 ' CA ' HD23 ' A' ' 64' ' ' LEU . . . 142.41 54.6 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.784 ' O ' HD11 ' A' ' 40' ' ' ILE . 16.8 mt -117.53 175.11 5.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 0.785 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.65 168.05 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.523 ' OE1' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -79.61 -10.72 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.56 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.678 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.01 -58.53 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.643 1.214 . . . . 0.0 110.355 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.8 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -44.61 -81.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.641 1.213 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.08 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.225 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 83' ' ' MET . 6.5 tt0 -42.42 -67.17 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -73.53 14.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.072 . . . . 0.0 109.27 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.809 ' SD ' HG23 ' A' ' 66' ' ' VAL . 46.6 ttp -122.63 -7.44 8.57 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.542 1.151 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -103.28 -48.66 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 59.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.885 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.8 -54.17 4.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.428 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 29.64 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m 175.25 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.929 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.576 ' O ' HG23 ' A' ' 86' ' ' THR . 14.9 p -153.93 154.91 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.885 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -130.39 103.66 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.815 HG22 ' CB ' ' A' ' 14' ' ' THR . 1.5 p -105.18 110.78 23.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -134.2 159.62 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 6.3 tt0 -102.99 111.53 23.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.735 HG22 HG13 ' A' ' 13' ' ' ILE . 5.8 m -117.81 158.49 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.812 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -127.06 126.73 43.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -51.57 -57.32 9.43 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -38.17 119.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.12 155.22 7.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.43 106.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.6 mt -98.12 -72.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -60.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.598 1.841 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mt 60.29 168.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.065 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.67 112.1 0.95 Allowed Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.493 1.121 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 p -169.9 167.9 8.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 0.83 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 mp -87.83 152.75 21.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.96 156.61 22.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.62 -179.19 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HG2' ' CD ' ' A' ' 10' ' ' PRO . 3.1 mt-10 -142.69 171.92 6.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.638 ' HA ' ' HB2' ' A' ' 95' ' ' ALA . 18.0 Cg_endo -75.16 144.39 29.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.685 ' HB3' HD11 ' A' ' 13' ' ' ILE . 8.0 tt0 -119.6 144.61 47.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.251 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.788 HD13 ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -88.65 110.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.862 HG12 HG22 ' A' ' 94' ' ' VAL . 1.5 mm -105.52 145.21 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.847 ' HB ' HG22 ' A' ' 91' ' ' THR . 68.6 p -128.43 111.19 13.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -106.18 111.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 7.4 m -101.13 120.25 39.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.605 1.191 . . . . 0.0 110.372 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -40.42 117.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -45.03 5.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -95.15 -4.34 46.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 91.6 mt-30 55.51 41.51 30.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.265 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.767 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -95.64 44.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.485 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 70.28 -56.87 0.86 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.528 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 167.48 -80.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 110.975 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' HA2' HG21 ' A' ' 46' ' ' VAL . . . 82.88 62.18 1.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.572 ' CD2' HG12 ' A' ' 45' ' ' VAL . 3.1 mt -129.62 165.13 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -146.56 116.49 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.003 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.701 HD11 ' HE3' ' A' ' 83' ' ' MET . 0.3 OUTLIER -145.59 168.41 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.3 171.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -139.26 127.8 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 1.061 . . . . 0.0 109.184 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.633 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -95.1 147.67 23.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.058 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 118.28 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 38.01 45.79 1.69 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.32 152.22 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.38 49.01 4.07 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -169.01 31.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 0.716 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.31 -173.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.37 1.044 . . . . 0.0 109.292 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -127.35 44.13 2.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 30' ' ' ALA . 4.9 tp 66.86 135.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' HD12 ' A' ' 38' ' ' LEU . . . 158.34 155.98 7.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.0 HG21 HD23 ' A' ' 63' ' ' LEU . 1.1 mt -98.91 146.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 62.4 m-85 -149.31 161.75 41.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.592 1.182 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.507 HG22 ' CG2' ' A' ' 27' ' ' ILE . 42.5 t -102.4 128.58 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 tttt -79.93 -43.19 22.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER 159.46 172.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 25' ' ' LEU . 5.5 m -93.29 137.49 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.7 t -40.36 -33.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 23.7 tptt 87.98 8.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.37 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.15 36.46 0.65 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -122.57 176.05 16.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.767 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -68.71 -67.3 0.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -61.36 -24.72 66.67 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.08 -55.29 30.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' OD2' ' A' ' 52' ' ' ASP . 59.7 t -77.85 -59.32 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -61.22 2.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.86 -51.06 60.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 55.13 45.91 25.07 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.27 165.01 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.11 . . . . 0.0 109.203 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.81 156.05 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -94.38 113.74 25.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.11 23.77 3.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 6.3 m-20 -74.63 170.99 14.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 36.3 tt0 -119.37 107.71 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.337 1.023 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.0 HD23 HG21 ' A' ' 40' ' ' ILE . 2.6 tp -88.75 155.18 19.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.786 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -146.48 -37.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 1.4 p -115.66 163.03 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.862 HG23 ' SD ' ' A' ' 83' ' ' MET . 9.0 p -131.7 164.25 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 0.0 109.437 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.506 ' CA ' ' O ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -72.88 129.59 38.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 -8.81 74.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.589 1.18 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 66' ' ' VAL . 51.8 mtp85 -150.88 118.93 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.731 ' O ' HG13 ' A' ' 72' ' ' VAL . 62.1 m -85.09 75.46 10.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 72' ' ' VAL . 4.0 mt -54.62 -60.63 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.88 -5.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.552 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 150.75 52.23 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.831 ' HB2' HD22 ' A' ' 71' ' ' LEU . 13.5 mt -116.15 172.52 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 0.702 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 152.46 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.823 ' CG ' ' HB2' ' A' ' 29' ' ' ALA . 1.6 mm100 -64.68 -11.0 31.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.621 1.201 . . . . 0.0 110.211 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -43.82 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -47.79 -56.29 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.706 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.86 -90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 4.74 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.8 tt0 -51.31 -69.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -54.25 -15.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.862 ' SD ' HG23 ' A' ' 66' ' ' VAL . 32.0 ttp -97.41 -15.63 20.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.564 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -76.68 -64.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -66.86 66.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.995 HG21 HG13 ' A' ' 90' ' ' VAL . 22.6 m -82.91 -41.92 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 89.55 -64.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 89' ' ' VAL . 17.6 m -175.04 50.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.777 ' H ' HG22 ' A' ' 86' ' ' THR . 14.0 p 178.66 92.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.995 HG13 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -105.84 93.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.847 HG22 ' HB ' ' A' ' 14' ' ' THR . 0.8 OUTLIER -97.42 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.802 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -130.85 162.42 29.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 29.3 tt0 -105.56 112.36 25.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 13' ' ' ILE . 22.2 m -115.27 168.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.638 ' HB2' ' HA ' ' A' ' 10' ' ' PRO . . . -142.42 132.98 25.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 131.61 46.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.684 1.24 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -172.47 102.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.47 179.4 42.35 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.58 -171.26 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 tt -122.21 171.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 33.8 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 111.058 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.36 7.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.524 1.802 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.76 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.1 -166.1 11.24 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.488 1.117 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m 63.49 117.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 0.717 . . . . 0.0 110.027 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.92 84.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.614 1.196 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -103.94 -46.48 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.82 87.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.523 1.139 . . . . 0.0 109.41 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.57 163.12 0.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -74.96 125.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER 167.05 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.231 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 12' ' ' ILE . 8.1 tt -82.19 116.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.652 ' CG1' HG22 ' A' ' 94' ' ' VAL . 1.4 mm -101.43 143.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.74 ' HB ' HG22 ' A' ' 91' ' ' THR . 0.9 OUTLIER -125.04 122.06 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.646 1.216 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.733 HG13 HG23 ' A' ' 90' ' ' VAL . 12.2 p -117.73 131.12 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 m -105.32 159.52 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -89.71 107.72 19.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.87 -55.6 3.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -76.35 -1.89 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 55.83 35.32 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.817 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 1.8 m-20 -100.07 153.0 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.65 -63.12 0.05 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.96 -49.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 61.11 62.37 5.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.717 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.2 mt -126.0 165.58 18.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.8 m -144.94 114.74 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.619 HD12 ' N ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -132.09 166.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.619 ' N ' HD12 ' A' ' 27' ' ' ILE . 2.3 p -152.8 139.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -125.41 142.69 51.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.894 ' O ' HD22 ' A' ' 38' ' ' LEU . . . -124.38 169.79 11.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.814 ' HD2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -140.9 163.04 34.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.353 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.58 -176.12 41.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.89 166.94 23.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 109.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.23 -80.47 0.28 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.1 mt-30 -91.59 85.97 5.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 0.778 . . . . 0.0 110.354 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' GLN . 3.9 m-20 78.12 126.47 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.77 99.44 6.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 30' ' ' ALA . 1.9 tm? 68.41 134.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.864 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -165.26 124.88 1.29 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.547 1.154 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.908 HG21 HD23 ' A' ' 63' ' ' LEU . 1.3 mt -99.63 160.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 68.7 m-85 -158.85 152.62 23.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG2' ' OD2' ' A' ' 61' ' ' ASP . 24.8 t -95.49 120.08 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 44' ' ' SER . 15.1 tttt -73.38 -46.02 51.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.594 1.184 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 p 156.13 173.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.717 HG12 ' CD2' ' A' ' 25' ' ' LEU . 13.7 m -89.27 134.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.509 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.1 t -53.41 -20.37 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.6 tptt 74.97 31.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.42 45.27 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.417 1.073 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -144.56 162.69 27.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.859 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -62.1 -47.32 85.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -75.13 -29.1 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.75 -51.8 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG23 ' OD2' ' A' ' 52' ' ' ASP . 19.1 t -81.59 -64.06 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -50.61 -62.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.236 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.01 -60.92 6.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.87 44.47 25.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.62 158.38 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 156.35 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -108.14 113.51 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.6 16.21 6.56 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.5 p30 -80.13 171.88 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.8 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 23.7 tt0 -108.42 109.84 21.22 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.908 HD23 HG21 ' A' ' 40' ' ' ILE . 2.7 tp -93.86 154.48 17.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.653 HD13 ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -146.95 -36.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.489 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 3.4 m -108.3 146.31 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.859 ' CB ' ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -120.37 161.25 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.57 ' H ' HD22 ' A' ' 92' ' ' LEU . 15.4 t70 -70.57 113.94 8.18 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.556 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 109.11 -15.73 33.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.41 1.068 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -150.4 117.48 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' LEU . 57.0 m -75.98 55.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.934 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD23 ' CB ' ' A' ' 74' ' ' LEU . 9.3 mp -33.91 -64.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.399 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 85.76 -11.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.373 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.451 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 158.34 50.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.457 1.098 . . . . 0.0 111.075 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.85 ' O ' HD11 ' A' ' 40' ' ' ILE . 11.5 mt -120.93 172.02 8.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.778 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.48 ' CA ' HD21 ' A' ' 38' ' ' LEU . 2.4 p -73.95 155.57 38.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 109.941 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.779 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -81.5 -5.78 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' HE21 ' A' ' 76' ' ' GLN . 8.7 mm-40 -46.77 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.18 . . . . 0.0 110.302 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.448 HH12 HD22 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -80.46 -41.23 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.218 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.859 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -60.11 -75.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -25.57 -45.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 79' ' ' ALA . 11.5 tt0 -60.37 -79.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.955 ' O ' HD13 ' A' ' 82' ' ' LEU . 1.4 tm? -49.35 -21.92 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.424 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.855 ' SD ' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -87.31 -22.77 24.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 80' ' ' ALA . 9.2 m -64.8 -58.05 7.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.03 58.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 110.404 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.928 ' OG1' HG13 ' A' ' 90' ' ' VAL . 1.9 m -87.48 -57.02 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 29.55 77.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.931 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 153.73 -60.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 86' ' ' THR . 8.5 p -168.28 131.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.928 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.04 110.79 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.047 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -97.9 106.74 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.047 HD23 ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.04 144.05 50.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.653 ' OE2' HD13 ' A' ' 64' ' ' LEU . 25.5 tt0 -95.05 123.04 38.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.652 HG22 ' CG1' ' A' ' 13' ' ' ILE . 5.1 m -113.28 170.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.8 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . -141.82 126.55 18.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.22 75.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.397 1.061 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 176.49 114.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . 167.25 -97.82 0.14 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.59 1.181 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . 71.34 98.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 0.717 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 mt 67.27 -81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.383 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.126 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.12 62.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.93 164.09 31.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.05 51.4 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.3 pt? -158.56 146.81 18.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.333 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -91.83 -64.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.37 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 109.283 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.13 172.68 1.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.851 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.8 Cg_endo -74.9 138.34 23.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 13.4 pt-20 -144.42 156.62 44.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.214 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.04 111.37 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mt -107.9 150.51 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.623 ' CB ' HG22 ' A' ' 91' ' ' THR . 8.8 t -121.58 129.06 52.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -116.63 111.71 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.387 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.764 HG23 HG12 ' A' ' 89' ' ' VAL . 28.4 m -86.46 144.59 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -69.23 97.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -81.6 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.058 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -4.56 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.342 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 56.32 34.57 24.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.649 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 t-20 -111.24 162.33 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.61 -66.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.745 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 157.71 -44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 0.704 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 46' ' ' VAL . . . 61.04 66.17 2.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 25' ' ' LEU . 3.4 mt -123.69 155.76 37.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.6 t -140.4 109.95 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 0.2 OUTLIER -129.08 169.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.59 143.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.221 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -126.48 141.05 52.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -118.89 164.57 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' C ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -149.07 169.61 20.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.96 -158.25 21.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.83 159.47 44.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.56 -69.54 2.58 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -75.62 -30.43 59.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 0.788 . . . . 0.0 110.353 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.99 145.91 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.45 78.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 1.1 mm? 60.3 107.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.83 124.87 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.941 HG21 HD23 ' A' ' 63' ' ' LEU . 1.1 mt -100.71 156.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.596 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -151.72 172.13 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.094 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.2 t -119.3 118.0 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -72.95 -47.27 46.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 t 154.17 173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.081 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG23 ' H ' ' A' ' 47' ' ' LYS . 12.8 m -81.09 157.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.388 1.055 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 24' ' ' GLY . 60.0 t -81.14 4.57 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 18.5 pttt 49.05 44.25 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -178.43 42.93 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' HA3' ' C ' ' A' ' 23' ' ' MET . . . -146.21 166.9 27.99 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.653 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -61.68 -59.31 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.405 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -65.25 -28.22 69.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.62 -52.85 63.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 t -80.66 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -52.49 -64.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.394 1.059 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' ALA . . . -50.32 -56.29 13.33 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.396 1.06 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 55.21 45.96 24.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 0.811 . . . . 0.0 110.354 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 mt -69.55 148.67 49.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.57 154.01 21.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 44' ' ' SER . . . -81.42 115.44 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.596 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 117.71 42.82 0.6 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.1 m-20 -106.76 116.3 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 95' ' ' ALA . 3.1 tt0 -74.63 115.85 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.941 HD23 HG21 ' A' ' 40' ' ' ILE . 1.1 tp -99.44 152.12 20.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -137.45 -40.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.422 1.076 . . . . 0.0 109.355 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.545 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -109.03 155.54 20.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.982 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -125.86 158.08 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.495 ' CA ' ' O ' ' A' ' 91' ' ' THR . 61.4 t0 -70.37 115.46 9.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.687 1.242 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.409 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 107.48 -19.14 34.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -151.12 115.57 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 110.258 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.789 ' O ' HG13 ' A' ' 72' ' ' VAL . 45.0 p -78.29 74.1 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.988 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.43 -51.56 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.415 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.988 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.56 -5.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.506 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 148.9 53.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.415 1.072 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 9.2 mt -121.23 173.25 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.472 ' HA ' ' HB1' ' A' ' 29' ' ' ALA . 51.9 p -71.92 156.56 39.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.63 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.4 pt20 -82.49 -14.17 55.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.629 1.206 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -38.27 -57.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -56.64 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.828 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -47.71 -69.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -27.03 -63.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.84 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.947 ' O ' HD13 ' A' ' 82' ' ' LEU . 1.2 tm? -61.09 -12.11 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.982 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -96.06 -16.15 21.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.62 ' N ' ' O ' ' A' ' 80' ' ' ALA . 24.8 m -78.99 -57.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.67 61.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.842 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.98 -55.76 4.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.434 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 m 67.2 -60.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' THR . 4.7 m -78.8 -91.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 86' ' ' THR . 1.0 OUTLIER -125.88 170.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.842 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.32 105.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.816 ' C ' HD23 ' A' ' 92' ' ' LEU . 1.2 p -97.93 106.76 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.848 HD22 ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.98 151.84 51.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.412 1.07 . . . . 0.0 109.203 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.3 tt0 -98.7 116.52 31.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 18.1 m -119.67 165.88 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.851 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -141.0 129.11 22.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -67.43 146.49 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.402 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -173.06 -68.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.616 1.197 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . 88.51 138.74 6.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . -179.63 -53.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 0.807 . . . . 0.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.0 mt 64.69 140.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.0 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 110.942 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.04 145.07 30.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.561 1.821 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.68 -62.22 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.79 138.88 2.74 Favored Glycine 0 CA--C 1.532 1.14 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -168.52 -42.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.603 0.825 . . . . 0.0 109.929 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.16 -80.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.17 161.11 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -103.91 142.53 34.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.87 158.6 1.22 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.97 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.07 152.16 40.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -149.81 162.45 40.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 12' ' ' ILE . 11.2 tt -90.25 111.95 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 94' ' ' VAL . 2.5 mm -98.25 145.89 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.69 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.0 t -125.42 122.13 35.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.986 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -112.22 114.2 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -88.14 148.25 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -83.35 95.46 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -78.95 -63.63 1.37 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.586 1.178 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -78.12 -4.35 46.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.531 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 52.58 41.19 31.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.748 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 49.3 t-20 -91.14 37.62 0.94 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.564 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 77.13 -53.45 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.758 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.74 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.549 0.793 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 88.15 45.32 5.09 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.772 HD22 HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -114.32 162.68 16.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -144.81 118.98 9.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.621 1.201 . . . . 0.0 109.95 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.625 HD12 HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -134.73 172.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.411 ' N ' HG13 ' A' ' 27' ' ' ILE . 33.9 t -150.24 156.02 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -136.26 132.83 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -112.07 157.98 20.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.22 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -151.57 119.23 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.94 82.96 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.14 125.3 47.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 0.825 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.27 -73.28 1.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -157.37 69.89 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.391 0.701 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 71.86 116.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.265 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -87.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 39' ' ' GLY . 2.1 tt 62.91 126.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 38' ' ' LEU . . . 176.41 150.44 8.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.638 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.1 mt -102.24 156.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 0.775 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 61.5 m-85 -155.17 169.69 23.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' GLY . 54.2 t -110.81 121.46 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.665 1.228 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 tttm -74.18 -44.93 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.6 t 156.04 174.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.772 HG12 HD22 ' A' ' 25' ' ' LEU . 18.8 m -93.67 135.34 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.647 1.217 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.3 t -39.79 -30.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.635 1.21 . . . . 0.0 109.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 tptp 83.42 10.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -154.44 38.97 0.66 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -124.25 176.24 16.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.626 0.839 . . . . 0.0 111.045 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.748 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -72.21 -65.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.986 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -69.09 -6.6 29.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.79 -52.09 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.396 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.3 -31.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.201 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -81.51 -52.38 7.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -61.27 -54.07 39.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.07 44.89 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.417 HD21 HG21 ' A' ' 13' ' ' ILE . 77.0 mt -70.87 161.16 31.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.374 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.668 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . . . -75.66 158.55 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 44' ' ' SER . . . -104.55 110.2 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.37 22.07 4.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.434 1.083 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.668 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 26.7 m-20 -74.3 169.81 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 21.8 tt0 -113.78 112.13 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.73 HD11 ' CB ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -95.06 151.99 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.575 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.3 -35.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.565 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -114.9 163.55 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.057 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.094 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 1.3 t -133.37 160.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 48.1 t0 -60.78 128.62 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -31.9 5.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 66' ' ' VAL . 1.7 mtt-85 -137.71 112.56 8.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.629 ' O ' ' C ' ' A' ' 71' ' ' LEU . 88.7 p -78.24 50.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.822 HD21 ' HB ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -20.62 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 89.11 -7.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.524 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 150.69 52.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.439 1.087 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.638 ' O ' HD11 ' A' ' 40' ' ' ILE . 18.6 mt -114.31 173.3 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.78 155.81 38.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -65.58 -9.27 25.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -44.38 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -39.69 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.215 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.094 ' HB1' ' CG2' ' A' ' 66' ' ' VAL . . . -59.68 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.64 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -15.14 -69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.3 tt0 -42.03 -69.3 0.14 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.12 7.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.861 ' SD ' HG22 ' A' ' 66' ' ' VAL . 8.8 ttp -112.35 -7.57 13.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.5 m -103.34 -53.33 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -64.86 64.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.609 1.193 . . . . 0.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.771 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.74 -54.14 5.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t 67.31 -58.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.97 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.09 -77.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 86' ' ' THR . 0.9 OUTLIER -140.67 158.72 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.771 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.52 109.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.054 ' C ' HD13 ' A' ' 92' ' ' LEU . 2.2 p -108.31 105.4 15.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.463 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.054 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -126.3 153.7 44.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.219 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.41 113.99 25.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.702 HG13 HD12 ' A' ' 63' ' ' LEU . 9.2 m -120.42 167.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.97 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -136.86 138.06 40.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 125.75 24.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 178.73 174.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.52 155.06 20.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -170.4 -67.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.5 mt 64.83 147.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.373 1.046 . . . . 0.0 110.997 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 81.96 2.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.447 1.762 . . . . 0.0 111.003 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.61 -63.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.18 125.16 1.63 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -143.83 148.96 36.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 0.758 . . . . 0.0 110.113 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt 64.71 164.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.427 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 177.06 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.36 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER 45.51 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -178.78 162.41 1.08 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.869 ' HA ' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -74.97 136.68 20.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.434 1.755 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -118.21 153.54 33.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.519 ' C ' HD13 ' A' ' 13' ' ' ILE . 1.2 tt -89.06 111.04 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.223 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.664 ' CG1' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -99.86 140.66 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.679 HG23 HG22 ' A' ' 91' ' ' THR . 3.0 m -118.73 109.19 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.909 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -105.76 108.71 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.405 ' OG1' ' CG1' ' A' ' 89' ' ' VAL . 1.1 m -94.92 155.32 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -96.24 109.06 21.6 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -48.61 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 0.0 109.401 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -88.1 -5.35 58.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.216 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 52.59 39.25 27.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.636 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -87.26 48.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 70.1 -54.52 0.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.413 1.07 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 158.92 -70.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 0.808 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 78.28 66.96 1.68 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 45' ' ' VAL . 15.3 mt -132.94 160.54 36.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.1 t -142.64 122.37 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD13 ' CE ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.44 169.38 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -151.67 131.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.38 141.81 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 38' ' ' LEU . . . -120.52 139.71 52.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.79 146.84 47.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.13 82.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.44 136.91 43.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.95 68.03 2.0 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.607 1.192 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -175.55 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -161.41 158.9 27.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -95.66 97.06 9.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 75' ' ' SER . 0.2 OUTLIER 78.3 117.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.375 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -138.23 112.2 0.87 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 111.078 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.867 HD11 ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -95.03 149.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 0.799 . . . . 0.0 109.274 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 55.5 m-85 -147.4 170.19 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 1.199 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 54.2 t -106.7 121.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 44' ' ' SER . 16.9 tptm -73.59 -44.71 56.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 157.1 173.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 11.6 m -94.47 136.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 3.4 t -42.98 -28.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 82.71 7.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -150.96 35.42 0.91 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.85 170.69 13.91 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.914 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -71.6 -53.06 14.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 109.38 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.909 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -77.51 -8.48 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -52.5 7.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.499 HG23 ' OD2' ' A' ' 52' ' ' ASP . 42.8 t -81.04 -33.19 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 55.8 t0 -79.01 -51.5 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -65.81 -48.25 68.36 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 55.46 45.23 25.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.382 0.696 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.632 ' CD2' HG21 ' A' ' 13' ' ' ILE . 56.7 mt -69.38 151.92 45.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 61' ' ' ASP . . . -81.65 146.96 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.45 116.65 27.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.46 16.23 5.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 26.7 m-20 -73.51 167.44 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 0.83 . . . . 0.0 109.268 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -117.77 106.75 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.826 HD23 HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -82.66 153.46 25.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.783 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 64.1 mt -144.11 -39.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.557 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -119.51 168.39 11.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.853 HG23 ' SD ' ' A' ' 83' ' ' MET . 9.8 p -131.36 169.29 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.533 ' H ' HD12 ' A' ' 92' ' ' LEU . 1.6 p-10 -70.78 128.77 37.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.205 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.08 -11.51 42.33 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.472 1.108 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.811 ' O ' HG12 ' A' ' 66' ' ' VAL . 41.5 mtp180 -151.49 105.08 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 15.4 m -78.13 80.53 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.961 HD22 ' HB2' ' A' ' 74' ' ' LEU . 64.5 mt -45.42 -50.91 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 81.85 -7.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 140.72 48.69 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.961 ' HB2' HD22 ' A' ' 71' ' ' LEU . 30.7 mt -110.4 176.3 5.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 109.244 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.523 ' HA ' HD11 ' A' ' 38' ' ' LEU . 36.1 m -71.02 150.13 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -68.04 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.6 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -47.71 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.917 ' HB2' HD11 ' A' ' 71' ' ' LEU . . . -46.38 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.31 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.7 tt0 -42.14 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -72.63 12.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.853 ' SD ' HG23 ' A' ' 66' ' ' VAL . 55.6 ttp -117.79 -14.13 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.6 m -96.39 -58.59 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -67.13 54.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 89' ' ' VAL . 13.4 m -88.93 -53.14 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.35 -73.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -50.07 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.915 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 86' ' ' THR . 1.5 m -137.79 139.67 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.5 ' CG1' ' HB ' ' A' ' 86' ' ' THR . 3.7 m -103.89 102.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.054 ' C ' HD13 ' A' ' 92' ' ' LEU . 3.0 p -102.15 104.59 15.2 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.054 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -119.12 164.07 16.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.176 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.2 tt0 -108.76 107.86 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.664 HG22 ' CG1' ' A' ' 13' ' ' ILE . 23.1 m -127.87 161.51 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.869 ' HB2' ' HA ' ' A' ' 10' ' ' PRO . . . -122.68 132.55 54.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.637 1.211 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.34 165.77 17.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 61.64 131.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -155.51 -110.36 0.35 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.513 1.133 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 173.69 -60.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 0.769 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -41.67 125.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 CA--C 1.538 0.509 0 CA-C-O 122.364 1.078 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.45 135.83 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.604 157.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mt -132.44 146.44 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -134.47 143.3 47.42 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.812 -1.18 . . . . 0.0 110.96 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG1' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -139.02 95.36 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 122.07 0.938 . . . . 0.0 109.399 -161.247 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -75.95 154.15 36.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.335 1.454 . . . . 0.0 112.869 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.13 49.52 1.11 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.998 1.319 . . . . 0.0 112.014 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -36.36 -36.8 0.11 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 128.326 2.65 . . . . 0.0 116.714 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -132.78 23.71 4.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.324 1.85 . . . . 0.0 112.564 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 52.24 -13.04 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 129.934 3.294 . . . . 0.0 119.833 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.05 46.35 0.1 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.83 2.452 . . . . 0.0 114.565 -174.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 179.92 2.64 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.756 -1.215 . . . . 0.0 112.665 -164.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 mtp -71.43 -49.47 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.62 -1.517 . . . . 0.0 111.703 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 61.01 5.23 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.472 0.558 . . . . 0.0 112.281 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.07 172.2 12.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.71 1.204 . . . . 0.0 110.082 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -140.86 124.17 16.66 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 120.006 -1.683 . . . . 0.0 109.315 -176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.32 152.49 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.986 1.314 . . . . 0.0 110.18 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.1 t -136.39 127.56 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.336 1.454 . . . . 0.0 107.928 173.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.96 164.02 13.08 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 122.177 0.989 . . . . 0.0 111.066 165.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 C-N-CA 124.492 1.117 . . . . 0.0 109.504 164.341 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.253 0 N-CA-C 114.343 0.497 . . . . 0.0 114.343 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mt -147.48 149.14 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.145 1.378 . . . . 0.0 108.906 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -145.88 137.09 24.75 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.567 1.147 . . . . 0.0 111.27 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.07 99.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.373 1.069 . . . . 0.0 108.364 162.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.3 -38.85 92.51 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.72 -0.613 . . . . 0.0 111.382 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.3 p -172.25 173.51 4.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.106 0.963 . . . . 0.0 112.769 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.8 m -74.72 166.86 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.379 148.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.18 13.15 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 120.162 1.346 . . . . 0.0 112.717 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 58.24 35.52 25.01 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.022 -1.049 . . . . 0.0 111.727 168.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.68 36.05 0.04 OUTLIER Glycine 0 CA--C 1.54 1.646 0 N-CA-C 116.671 1.428 . . . . 0.0 116.671 -172.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -147.89 167.83 28.79 Favored Glycine 0 N--CA 1.476 1.348 0 CA-C-N 119.946 1.873 . . . . 0.0 113.982 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.58 82.77 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.214 -1.168 . . . . 0.0 113.518 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.01 -26.43 33.85 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.614 0.766 . . . . 0.0 111.983 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -60.6 3.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.254 1.021 . . . . 0.0 111.718 164.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.67 -30.37 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -120.69 -12.55 8.85 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -89.35 -34.12 8.9 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 121.508 -0.745 . . . . 0.0 113.62 166.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtm-85 47.83 43.54 17.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.479 1.512 . . . . 0.0 113.317 171.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.15 153.91 17.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.725 1.21 . . . . 0.0 111.804 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.8 143.77 26.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.635 1.207 . . . . 0.0 111.746 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 125.51 23.04 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.414 -0.804 . . . . 0.0 109.629 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 -4.21 48.15 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.536 1.541 . . . . 0.0 116.07 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.36 112.13 2.3 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.656 1.728 . . . . 0.0 111.71 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.82 94.37 2.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.899 1.28 . . . . 0.0 111.064 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.25 143.77 55.14 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.307 1.843 . . . . 0.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -133.3 -37.15 0.97 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.979 1.712 . . . . 0.0 112.993 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -136.89 166.18 24.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.817 1.247 . . . . 0.0 112.072 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.23 158.45 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.406 1.482 . . . . 0.0 111.133 -164.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -51.87 132.35 31.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.933 0.873 . . . . 0.0 112.459 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.57 -2.87 0.71 Allowed Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -173.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -141.82 94.31 2.66 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.275 2.037 . . . . 0.0 112.122 -172.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -62.81 65.47 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.612 2.365 . . . . 0.0 114.363 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -61.95 -27.89 69.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.277 21.4 m 45.8 -1.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 130.063 3.345 . . . . 0.0 118.406 -167.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.68 38.48 0.02 OUTLIER Glycine 0 CA--C 1.539 1.552 0 CA-C-N 120.075 1.307 . . . . 0.0 116.025 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.62 149.9 48.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.938 1.869 . . . . 0.0 113.276 -172.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -67.02 155.79 37.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -161.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -57.43 -26.95 61.94 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -168.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -59.53 -13.95 11.08 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -122.2 22.09 10.26 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.755 0.822 . . . . 0.0 111.966 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.24 -50.85 0.22 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.07 69.17 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.397 -1.44 . . . . 0.0 113.065 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -54.53 -34.42 61.74 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 113.779 167.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.1 -55.34 4.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.05 0.94 . . . . 0.0 109.747 170.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.4 mtm -51.56 -34.76 38.2 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.7 m -64.3 -32.13 73.61 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.283 -0.886 . . . . 0.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -83.51 -9.91 58.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 m -30.48 -51.48 0.15 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 128.12 2.568 . . . . 0.0 116.761 -172.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 58.61 -17.62 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.6 p -143.18 -40.82 0.31 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -165.38 127.66 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 119.957 1.253 . . . . 0.0 110.806 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 117.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 165.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.8 p -74.84 144.08 43.61 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.174 -0.954 . . . . 0.0 108.953 148.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.5 mt -145.19 169.17 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.573 2.349 . . . . 0.0 108.57 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -136.67 129.42 30.63 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.481 1.112 . . . . 0.0 108.157 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.2 m -142.8 165.11 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.865 0.866 . . . . 0.0 112.933 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 125.115 1.366 . . . . 0.0 112.05 174.663 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 18.7 tt -79.06 125.97 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.718 HG13 HG22 ' A' ' 94' ' ' VAL . 2.4 mm -114.16 149.3 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.62 ' CB ' HG22 ' A' ' 91' ' ' THR . 5.4 t -128.86 125.81 38.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.6 t -111.46 134.86 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -108.41 154.49 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -94.35 107.3 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -89.8 -57.6 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -75.22 -1.3 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.3 33.87 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.766 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -95.45 158.04 15.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -29.24 -61.9 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.518 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 162.92 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.519 0.776 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.09 49.27 22.39 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.838 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -113.18 159.11 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.4 m -145.37 108.86 4.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.888 HD11 ' NE2' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -131.59 175.2 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 29' ' ' ALA . 75.2 t -149.87 167.76 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.549 ' N ' HG12 ' A' ' 28' ' ' VAL . . . -150.76 116.76 5.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.932 HG21 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -94.85 150.54 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.382 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -145.33 164.81 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.94 118.8 59.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.2 ttmt -74.09 -48.46 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 3.1 p 156.69 173.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.838 HG12 ' CD2' ' A' ' 25' ' ' LEU . 19.3 m -89.56 128.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -39.49 -31.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 8.8 tptt 86.51 27.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.369 1.043 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.483 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -162.43 45.6 0.35 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.67 164.09 27.12 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.78 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -63.13 -58.72 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -68.91 -15.32 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -71.41 -51.78 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -80.21 -49.5 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 31.7 t70 -60.98 -50.57 72.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -63.39 -54.75 29.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 55.91 45.02 24.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.257 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.549 HD12 HD11 ' A' ' 25' ' ' LEU . 66.1 mt -69.41 148.39 49.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.37 161.16 22.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 44' ' ' SER . . . -91.15 119.26 31.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 109.05 43.66 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -103.81 120.77 41.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 4.6 tt0 -74.0 109.68 7.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.932 HD23 HG21 ' A' ' 40' ' ' ILE . 3.9 tp -94.76 155.91 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -147.72 -37.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.09 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.513 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 1.4 p -105.83 149.43 26.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.029 HG21 ' HB1' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -122.66 154.58 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.49 ' CA ' ' O ' ' A' ' 91' ' ' THR . 28.1 t0 -69.98 109.56 4.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.421 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 120.41 -23.54 7.99 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -151.11 125.33 9.35 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.617 0.834 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.743 ' O ' HG13 ' A' ' 72' ' ' VAL . 19.3 m -75.49 76.17 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.918 HD13 ' HB ' ' A' ' 66' ' ' VAL . 8.5 mp -54.71 -56.05 23.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.01 -6.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.426 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 148.15 55.9 0.02 OUTLIER Glycine 0 CA--C 1.527 0.841 0 O-C-N 124.554 1.159 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.693 ' CB ' HD23 ' A' ' 71' ' ' LEU . 12.5 mt -118.77 174.52 6.23 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.371 0.689 . . . . 0.0 109.198 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.46 160.24 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.888 ' NE2' HD11 ' A' ' 27' ' ' ILE . 6.0 mm100 -84.71 -16.38 41.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -39.04 -63.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -49.87 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.029 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -48.75 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -22.48 -67.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -41.29 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -56.21 -16.86 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.991 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.7 -3.65 35.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 111.056 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' ' O ' ' A' ' 80' ' ' ALA . 85.6 m -87.07 -57.72 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.375 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -67.37 59.41 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 110.158 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 89' ' ' VAL . 1.4 m -87.45 -56.89 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 1.051 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 26.32 74.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.929 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 153.71 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.916 ' O ' HG23 ' A' ' 86' ' ' THR . 4.4 p -157.73 136.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.909 HG22 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -117.68 99.53 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.799 ' C ' HD23 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -93.18 107.82 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.887 HD22 ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.22 152.41 51.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 63' ' ' LEU . 17.1 tt0 -99.35 127.48 45.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.232 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.718 HG22 HG13 ' A' ' 13' ' ' ILE . 5.4 m -126.43 167.74 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.02 118.93 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.809 HG21 ' CD2' ' A' ' 57' ' ' LEU . 14.1 mm -108.48 156.86 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.799 ' HB ' HG22 ' A' ' 91' ' ' THR . 1.7 t -136.73 139.08 41.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.041 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -127.29 108.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.629 1.206 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.443 ' N ' HG23 ' A' ' 89' ' ' VAL . 18.9 m -88.26 153.34 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -87.89 92.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -76.86 -62.22 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.62 -3.55 56.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.652 ' HA ' HD13 ' A' ' 17' ' ' LEU . 27.5 mt-30 52.19 41.52 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.822 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.6 t-20 -91.35 36.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 80.91 -58.11 4.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.557 1.16 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.694 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.41 -76.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' C ' ' OD1' ' A' ' 52' ' ' ASP . . . 99.65 -8.61 60.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.391 1.057 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.557 HD22 HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -63.36 155.11 29.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.743 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -143.81 106.36 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 109.972 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.649 HD12 HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -126.26 167.57 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 56.0 t -150.83 161.7 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -132.91 146.84 52.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.957 HG21 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -102.88 147.72 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.243 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 68.6 m-85 -148.22 158.33 44.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 73.9 t -97.04 123.95 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.586 ' O ' ' HB1' ' A' ' 59' ' ' ALA . 5.1 tttm -74.01 -63.51 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 34.9 p 177.44 176.21 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.557 HG12 HD22 ' A' ' 25' ' ' LEU . 12.6 m -101.38 127.56 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 2.4 t -41.2 -28.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 9.3 tptt 74.22 32.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.33 28.33 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -120.34 177.95 16.42 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.822 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -69.09 -66.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 0.762 . . . . 0.0 109.208 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.041 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -71.87 -4.47 28.24 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' N ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -79.8 -51.73 8.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 49' ' ' GLY . 17.4 t -80.35 -32.77 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -79.79 -56.2 4.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.36 -56.98 16.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.94 43.37 30.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.809 ' CD2' HG21 ' A' ' 13' ' ' ILE . 10.1 mt -71.27 169.91 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.81 148.97 23.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -92.64 116.1 28.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 115.79 22.09 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 8.5 m-20 -74.77 170.8 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HG2' HD21 ' A' ' 64' ' ' LEU . 12.4 tt0 -120.67 109.17 14.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.957 HD23 HG21 ' A' ' 40' ' ' ILE . 2.3 tp -85.34 155.54 21.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -140.57 -43.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.631 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.21 168.1 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.766 HG21 ' HB1' ' A' ' 79' ' ' ALA . 7.2 p -126.76 167.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.526 ' CA ' ' O ' ' A' ' 91' ' ' THR . 48.0 t0 -70.19 131.13 43.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.32 -12.42 45.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.492 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 19.3 mtp85 -150.47 111.01 4.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.791 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.671 ' O ' HG13 ' A' ' 72' ' ' VAL . 71.3 m -81.13 85.93 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.951 ' O ' HG22 ' A' ' 72' ' ' VAL . 2.2 mt -57.39 -53.07 62.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.687 1.242 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.14 -5.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 144.76 47.25 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 40' ' ' ILE . 17.2 mt -108.49 173.2 6.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 0.799 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.57 149.66 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.085 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.7 pm0 -65.47 -12.44 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.21 -66.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.766 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.13 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.66 -84.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' A' ' 83' ' ' MET . 16.4 tt0 -45.81 -65.75 0.5 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.538 1.149 . . . . 0.0 110.196 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.627 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -71.15 11.34 0.43 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.751 ' SD ' HG23 ' A' ' 66' ' ' VAL . 48.1 ttp -117.82 -18.83 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.9 m -87.96 -53.34 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.97 59.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.775 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.87 -56.87 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.0 m 66.28 -59.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.155 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -73.13 -81.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.918 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 86' ' ' THR . 13.1 p -144.92 155.16 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -115.05 92.23 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.799 HG22 ' HB ' ' A' ' 14' ' ' THR . 5.7 p -94.27 109.02 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.432 1.082 . . . . 0.0 110.352 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.671 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -129.48 157.08 42.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.422 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.567 ' CG2' ' CG1' ' A' ' 13' ' ' ILE . 16.5 m -117.09 164.0 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.1 tt -89.35 113.63 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.526 HD12 ' CG2' ' A' ' 94' ' ' VAL . 2.5 mt -112.41 149.3 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.805 ' CB ' HG22 ' A' ' 91' ' ' THR . 59.6 p -123.54 110.8 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.62 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -96.16 114.9 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.63 ' HA ' HG23 ' A' ' 89' ' ' VAL . 25.7 m -93.47 161.8 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.807 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -97.36 105.66 17.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -56.28 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -75.54 -2.4 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 55.52 34.61 23.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.358 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.807 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -98.44 159.11 15.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -28.21 -61.95 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.58 -56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 69.83 57.35 7.21 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.428 1.08 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.623 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -121.19 162.12 20.7 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.412 0.713 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t -145.69 115.42 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.651 HD13 ' HE3' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.15 170.71 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 p -152.7 150.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.799 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -124.72 145.77 49.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.932 HG21 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -101.57 148.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 61.8 m-85 -150.2 165.54 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.02 121.54 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.2 OUTLIER -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.389 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.9 p 157.05 174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.623 HG12 ' CD2' ' A' ' 25' ' ' LEU . 21.1 m -92.43 127.4 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.504 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 18.2 t -41.45 -33.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 2.9 tptt 86.84 22.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.9 49.06 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -145.81 166.74 27.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.807 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -63.56 -56.27 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.62 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -68.48 -24.23 64.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.397 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -61.76 -52.67 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -80.98 -56.34 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.68 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.47 -57.2 10.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 55.42 45.13 25.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 110.188 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.5 mt -69.75 159.52 33.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.96 146.32 28.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.558 1.161 . . . . 0.0 109.201 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.82 114.82 26.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.0 18.25 4.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 32.8 m-20 -73.93 171.32 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 51.6 tt0 -120.92 107.42 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.932 HD23 HG21 ' A' ' 40' ' ' ILE . 2.0 tp -86.78 154.16 21.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -143.85 -42.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -116.08 167.17 11.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.84 HG23 ' SD ' ' A' ' 83' ' ' MET . 10.9 p -129.15 165.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.424 1.077 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.539 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.1 p-10 -71.13 127.35 32.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.488 ' HA3' ' CZ ' ' A' ' 69' ' ' ARG . . . 88.69 -16.21 54.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.77 ' NH1' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -145.4 117.42 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.624 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.5 m -85.06 82.46 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.626 1.204 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.974 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.7 mt -58.47 -53.52 57.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.18 -6.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.408 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 144.44 55.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.617 1.198 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.677 ' O ' HD11 ' A' ' 40' ' ' ILE . 24.5 mt -116.95 173.81 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.8 m -71.73 147.39 47.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.799 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -66.25 -9.98 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.631 1.207 . . . . 0.0 110.354 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' N ' HE21 ' A' ' 76' ' ' GLN . 50.0 mt-10 -43.36 -76.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -50.52 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.783 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.96 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.7 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -0.41 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.6 tt0 -42.88 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.77 HD12 ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -71.36 12.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.84 ' SD ' HG23 ' A' ' 66' ' ' VAL . 59.6 ttp -120.76 -14.32 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.075 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 80' ' ' ALA . 2.2 m -91.23 -52.32 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -67.77 53.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.213 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.834 ' OG1' HG13 ' A' ' 90' ' ' VAL . 1.8 m -89.62 -55.46 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.455 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER 31.46 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 152.81 -51.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.052 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.63 HG23 ' HA ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -177.24 122.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.834 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -113.77 101.48 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.824 ' C ' HD23 ' A' ' 92' ' ' LEU . 20.1 p -95.95 112.72 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.824 HD23 ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.13 153.76 44.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' CB ' ' OG ' ' A' ' 65' ' ' SER . 4.6 tt0 -96.49 107.7 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.526 ' CG2' HD12 ' A' ' 13' ' ' ILE . 26.2 m -113.36 163.7 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.307 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 12' ' ' ILE . 7.5 tt -90.36 108.95 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.756 HG12 HG22 ' A' ' 94' ' ' VAL . 2.6 mm -94.26 151.25 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.415 ' HB ' HG22 ' A' ' 91' ' ' THR . 3.5 t -138.56 117.09 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.607 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -112.05 148.72 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.713 HG23 HG12 ' A' ' 89' ' ' VAL . 22.5 m -125.32 148.4 48.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -77.2 101.94 6.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.63 -50.89 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -5.04 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.492 ' HA ' HD13 ' A' ' 17' ' ' LEU . 53.3 mt-30 54.0 40.07 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.813 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -91.52 36.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.137 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 76.95 -53.28 3.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.408 1.067 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.696 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.65 -79.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.054 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 86.32 57.65 2.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.599 ' CD2' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -124.46 166.48 15.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -148.04 121.37 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.078 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.539 HD13 HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -139.19 174.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.215 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.2 p -152.22 170.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' CB ' ' H ' ' A' ' 76' ' ' GLN . . . -142.89 146.29 33.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 109.385 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.813 HG21 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -107.08 147.22 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 55.2 m-85 -149.62 165.3 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 15.5 t -104.24 124.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 ttmm -73.87 -43.13 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.8 t 152.19 175.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 25' ' ' LEU . 18.8 m -87.56 131.75 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 13.7 t -45.94 -25.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 77.4 101.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.53 12.6 11.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -95.16 174.62 32.72 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.813 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -74.01 -58.03 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 0.818 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -76.41 -9.17 58.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.712 ' OD2' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -80.0 -53.69 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.712 HG23 ' OD2' ' A' ' 52' ' ' ASP . 99.4 t -75.89 -33.64 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -78.72 -48.77 14.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.59 -49.68 35.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.4 1.062 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 55.45 45.44 25.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 0.769 . . . . 0.0 110.267 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.99 163.73 23.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.344 1.027 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.25 162.96 12.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 109.261 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 44' ' ' SER . . . -92.74 122.34 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.447 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.52 6.17 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.408 1.068 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -73.73 114.93 12.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.635 0.844 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 10.6 tt0 -74.17 110.11 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.361 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -88.8 153.59 20.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 71' ' ' LEU . 1.3 mt -143.62 -40.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.505 ' OG ' ' HA ' ' A' ' 70' ' ' SER . 4.3 m -119.64 168.9 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.088 HG22 HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -121.26 -175.24 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.443 1.09 . . . . 0.0 109.427 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 91' ' ' THR . 63.1 t0 -65.33 113.64 4.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.96 13.42 8.48 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -129.71 72.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.362 0.683 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.505 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 2.5 p -63.05 115.37 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.088 HD11 HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -104.11 -33.49 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.904 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.23 -6.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 64' ' ' LEU . . . 140.33 59.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.382 1.051 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 57.1 mt -108.42 172.81 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.756 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 163.63 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -69.01 -12.11 61.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.04 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -51.03 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -51.16 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -8.19 -77.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' A' ' 83' ' ' MET . 18.0 tt0 -39.95 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -71.64 12.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.853 ' SD ' HG13 ' A' ' 66' ' ' VAL . 20.2 ttp -119.21 -6.17 10.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.0 m -106.64 -49.5 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -64.13 60.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.387 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.786 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -84.23 -52.88 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.1 m 34.59 57.86 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 159.17 -68.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.713 HG12 HG23 ' A' ' 16' ' ' THR . 3.3 m -149.13 149.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.786 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -119.51 101.93 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.063 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -101.79 136.41 41.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.063 HD23 ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -162.67 154.6 18.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.3 tt0 -95.54 109.41 21.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.756 HG22 HG12 ' A' ' 13' ' ' ILE . 19.1 m -120.53 170.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -96.56 129.28 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 94' ' ' VAL . 1.4 mt -119.28 150.09 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.594 1.184 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.77 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.0 p -127.42 115.99 19.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.388 1.055 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.778 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.2 106.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -87.07 159.87 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -92.25 105.01 17.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -86.76 -52.84 5.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -95.44 -3.23 47.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.783 ' HA ' HD13 ' A' ' 17' ' ' LEU . 4.0 mt-30 52.2 41.04 30.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.863 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 57.3 t-20 -96.84 55.97 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 68.08 -72.72 0.29 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.955 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.37 -63.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 96.13 -14.07 65.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -57.9 152.35 16.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 m -144.85 108.94 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.904 HD12 HD22 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -126.97 170.22 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.41 156.62 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.307 1.004 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -125.8 136.84 53.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.268 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.975 HG21 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -100.03 141.73 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 56.1 m-85 -147.62 163.28 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -100.62 123.19 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -75.13 -48.6 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.6 p 158.28 178.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 52' ' ' ASP . 19.1 t -100.19 144.02 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.646 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -58.87 -44.08 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 12.8 tptt 99.93 20.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.61 43.04 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -133.75 169.0 23.0 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.863 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -66.13 -63.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 0.755 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -70.01 -4.7 22.07 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.531 1.145 . . . . 0.0 109.394 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.567 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -78.04 -54.09 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 t -79.97 -30.78 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.61 -57.07 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.44 -59.92 8.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 55.59 44.15 27.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD1' HD11 ' A' ' 25' ' ' LEU . 5.5 mt -71.77 171.2 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.54 148.8 21.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.69 118.35 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.62 18.65 4.77 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 35.9 m-20 -74.7 170.7 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 38.4 tt0 -122.16 108.13 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.975 HD23 HG21 ' A' ' 40' ' ' ILE . 2.1 tp -86.18 153.78 21.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.83 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.2 mt -144.46 -39.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.87 165.44 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.84 HG21 ' HB1' ' A' ' 79' ' ' ALA . 7.1 p -129.46 166.4 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.559 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -71.06 129.09 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.408 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.74 -12.31 59.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 13.6 mtp180 -149.26 113.46 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 0.808 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.81 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.9 m -82.0 78.03 8.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.833 HD22 ' HB2' ' A' ' 74' ' ' LEU . 3.7 mt -52.21 -58.02 7.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 70' ' ' SER . 4.0 t 84.34 -9.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.466 ' C ' HD23 ' A' ' 74' ' ' LEU . . . 150.18 46.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.833 ' HB2' HD22 ' A' ' 71' ' ' LEU . 10.7 mt -107.45 172.22 6.95 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.54 0.788 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.43 146.95 44.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.417 1.073 . . . . 0.0 109.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -64.18 -10.27 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -42.57 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.84 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.71 -85.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.698 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 0.49 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.2 tt0 -43.94 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.26 12.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.76 ' SD ' HG23 ' A' ' 66' ' ' VAL . 50.0 ttp -119.75 -17.7 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.5 m -89.44 -55.41 3.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -66.1 60.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.81 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.67 -57.55 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 86' ' ' THR . 0.5 OUTLIER 66.01 -58.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.011 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 86' ' ' THR . 5.4 m -71.06 -80.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 86' ' ' THR . 5.6 p -146.64 152.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.955 HG11 ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -115.61 94.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.77 HG22 ' CB ' ' A' ' 14' ' ' THR . 6.9 p -97.54 109.51 22.25 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.407 1.067 . . . . 0.0 110.467 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.723 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -130.31 159.42 37.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.203 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.55 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 13' ' ' ILE . 5.4 m -117.51 158.87 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.221 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.767 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 120.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.767 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -107.27 148.81 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 91' ' ' THR . 74.4 p -132.58 114.41 14.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 51' ' ' ALA . 3.4 t -113.04 125.12 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.755 ' OG1' HG23 ' A' ' 89' ' ' VAL . 88.7 m -102.2 138.56 38.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.895 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.94 106.51 0.83 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -91.3 -50.58 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -86.19 -7.22 58.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 52.22 40.58 29.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.48 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 10.5 t30 -93.19 52.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' HD11 ' A' ' 17' ' ' LEU . . . 67.63 -59.01 0.32 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 168.93 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 89.48 32.62 10.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.0 mt -108.81 152.25 25.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 0.706 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -137.98 108.22 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.062 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.6 170.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.0 t -151.42 157.82 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 76' ' ' GLN . . . -139.47 133.66 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 41' ' ' TYR . 4.6 mt -109.73 166.39 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 69.3 m-85 -160.98 162.79 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -106.72 117.94 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.94 -52.91 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.625 1.203 . . . . 0.0 109.374 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 169.04 173.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 25' ' ' LEU . 17.2 m -101.48 135.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -40.37 -32.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 86.99 7.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -153.38 37.37 0.74 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.458 1.099 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -120.36 175.55 15.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.895 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -70.75 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 0.812 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . . . -67.54 -20.6 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.54 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -66.62 -52.74 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.512 HG23 ' OD2' ' A' ' 52' ' ' ASP . 46.5 t -78.53 -58.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.84 -52.59 56.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.265 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -66.17 -53.68 28.32 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.579 1.175 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 55.42 44.78 26.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 13' ' ' ILE . 12.0 mt -70.59 155.98 40.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.6 151.77 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -96.02 114.13 25.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.73 28.33 2.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.0 m-20 -92.73 157.11 16.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 109.352 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' ALA . 8.5 tt0 -101.84 116.84 33.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.045 HD11 ' HB3' ' A' ' 92' ' ' LEU . 1.5 tp -101.64 158.11 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -147.64 -32.58 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.619 1.2 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -111.44 152.35 27.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.4 OUTLIER -126.26 163.96 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.13 124.76 24.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 82' ' ' LEU . . . 91.59 -14.19 64.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.544 ' HB2' HG12 ' A' ' 66' ' ' VAL . 4.5 mtt180 -147.6 104.4 3.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.351 0.677 . . . . 0.0 110.364 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.508 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 16.5 m -73.16 61.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.751 ' O ' HG12 ' A' ' 72' ' ' VAL . 10.7 mp -37.99 -65.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 87.97 -10.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.24 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 64' ' ' LEU . . . 157.04 51.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.646 1.216 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.668 ' CB ' HD23 ' A' ' 71' ' ' LEU . 12.1 mt -120.87 172.36 7.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 0.817 . . . . 0.0 109.384 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 158.04 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 16.2 pt20 -82.61 -15.22 52.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 78' ' ' ARG . 1.2 tt0 -40.19 -55.53 2.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.626 HH12 HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -84.82 -56.06 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.729 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -45.98 -65.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.619 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -32.25 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.64 1.213 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 84' ' ' THR . 19.0 tt0 -36.27 -72.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.895 HD13 ' O ' ' A' ' 82' ' ' LEU . 1.7 tm? -44.85 -28.0 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.933 ' SD ' HD21 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -87.22 -30.35 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -52.35 -52.59 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.181 . . . . 0.0 110.481 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -70.58 57.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -82.17 -52.12 7.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 5.02 74.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.3 m 156.45 -47.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.755 HG23 ' OG1' ' A' ' 16' ' ' THR . 2.3 p -176.73 139.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.667 ' HB ' HG21 ' A' ' 86' ' ' THR . 1.4 p -131.27 146.66 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.927 ' C ' HD12 ' A' ' 92' ' ' LEU . 80.2 p -152.84 145.67 24.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.045 ' HB3' HD11 ' A' ' 63' ' ' LEU . 1.2 mp -151.45 164.97 35.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.631 1.207 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 15.2 tt0 -109.95 113.46 26.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.519 HG12 HD12 ' A' ' 63' ' ' LEU . 9.7 m -104.5 162.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.175 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.206 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' C ' HD13 ' A' ' 13' ' ' ILE . 18.1 tt -85.05 111.38 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.723 ' CG1' HG22 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -99.9 142.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.802 ' CB ' HG22 ' A' ' 91' ' ' THR . 0.5 OUTLIER -119.18 111.07 17.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -106.73 115.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.756 ' OG1' HG23 ' A' ' 89' ' ' VAL . 10.6 m -100.76 151.33 21.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.864 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -77.9 119.53 21.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -99.16 -49.77 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -93.77 -3.83 51.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 17' ' ' LEU . 6.7 mt-30 54.89 40.6 32.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.837 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 34.0 t-20 -90.1 43.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.416 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 72.02 -56.45 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.615 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.0 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 0.707 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 79.88 58.73 2.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.583 ' CD2' HG12 ' A' ' 45' ' ' VAL . 1.8 mt -124.28 159.77 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -144.51 109.18 4.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -131.41 171.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 p -151.44 159.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.824 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -139.22 127.83 23.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.063 HG21 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -106.59 145.29 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 55.6 m-85 -148.1 160.94 42.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 t -99.26 123.23 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' SER . 20.9 tptt -74.32 -51.32 15.55 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 168.11 173.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.959 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 25' ' ' LEU . 17.0 m -97.18 135.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.38 1.05 . . . . 0.0 109.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.505 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.4 t -39.75 -33.07 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.338 1.024 . . . . 0.0 109.284 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 14.0 tptt 86.81 5.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -149.99 36.18 0.97 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -119.63 174.46 15.49 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.864 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -73.74 -54.97 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -73.99 -11.32 60.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.202 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -78.92 -52.9 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' GLY . 22.7 t -80.34 -32.72 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 30.7 t70 -80.14 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.46 -50.61 63.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 55.47 46.0 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 0.708 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.7 mt -68.79 155.79 39.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.376 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.98 143.68 28.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.9 118.46 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.95 16.9 5.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 12.4 m-20 -73.61 170.86 14.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 38.0 tt0 -123.18 109.13 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.339 1.025 . . . . 0.0 110.223 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.063 HD23 HG21 ' A' ' 40' ' ' ILE . 1.7 tp -87.33 156.91 19.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -144.5 -40.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.723 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.34 166.05 14.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.837 HG12 ' O ' ' A' ' 69' ' ' ARG . 9.3 p -128.15 169.82 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.519 ' CA ' ' O ' ' A' ' 91' ' ' THR . 60.7 t0 -70.21 135.14 48.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.32 8.23 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.837 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.2 mtt85 -153.44 85.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -69.5 91.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.978 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -71.12 -51.76 23.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.978 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.08 -6.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.379 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 145.52 55.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.642 ' O ' HD11 ' A' ' 40' ' ' ILE . 18.8 mt -120.27 173.02 7.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 152.7 41.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.21 -8.56 32.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 36.6 mt-10 -40.9 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -59.57 4.78 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.808 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -47.24 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.719 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.4 -81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.6 tt0 -42.96 -68.04 0.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.776 HD13 ' NE ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -73.98 13.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.71 ' SD ' HG23 ' A' ' 66' ' ' VAL . 50.5 ttp -118.55 -13.43 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.4 m -97.64 -56.9 2.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -67.64 56.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 110.386 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.875 ' CB ' HG13 ' A' ' 90' ' ' VAL . 31.6 m -87.13 -54.39 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.2 m 32.42 82.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 87' ' ' SER . 2.1 t 151.26 -55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.955 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.756 HG23 ' OG1' ' A' ' 16' ' ' THR . 5.3 p -174.5 120.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.875 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -104.06 98.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.138 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' CB ' ' A' ' 14' ' ' THR . 3.3 p -95.19 109.85 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.514 HD23 ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -124.01 157.14 35.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 7.5 tm-20 -104.23 115.33 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.582 1.176 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.723 HG22 ' CG1' ' A' ' 13' ' ' ILE . 16.9 m -115.6 170.2 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.373 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tt -85.6 117.5 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.067 HD11 HG22 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -118.08 150.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.437 ' CB ' HG23 ' A' ' 91' ' ' THR . 11.2 t -127.56 134.7 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.939 HG13 HG23 ' A' ' 90' ' ' VAL . 12.3 p -123.1 156.38 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 1.025 HG23 HG23 ' A' ' 89' ' ' VAL . 10.6 m -136.63 140.33 42.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -58.11 87.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -74.72 -60.41 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -6.4 57.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 17' ' ' LEU . 6.5 mt-30 52.83 41.26 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.299 0.999 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' MET . 20.8 t-20 -100.93 54.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 67.84 -60.02 0.35 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.472 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 167.27 -70.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.636 0.845 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' HA2' HG21 ' A' ' 46' ' ' VAL . . . 74.63 74.34 0.87 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 25' ' ' LEU . 13.4 mt -140.65 160.51 39.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.438 0.728 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.46 110.49 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.055 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.431 HG13 ' NE2' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -130.52 168.02 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -151.09 142.71 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.871 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -131.89 129.54 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.204 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.033 HG21 HD23 ' A' ' 63' ' ' LEU . 1.7 mt -101.91 164.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.525 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 54.3 m-85 -157.97 172.86 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 55.4 t -112.32 118.05 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -74.96 -45.46 42.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 p 159.96 172.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 5.7 m -95.92 144.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.6 t -50.14 -30.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 18.4 tptt 87.55 8.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.34 38.28 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -126.87 176.08 17.8 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.11 -71.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.803 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -56.16 -34.6 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.93 -54.64 27.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.483 HG23 ' OD2' ' A' ' 52' ' ' ASP . 62.2 t -80.83 -70.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.624 1.203 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -45.93 -61.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -55.45 -56.58 22.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.65 44.19 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.51 154.38 41.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.232 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 151.29 34.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.21 114.81 27.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 122.99 9.12 6.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.436 1.085 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -74.77 168.41 19.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.525 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 4.0 tt0 -114.05 110.71 20.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.033 HD23 HG21 ' A' ' 40' ' ' ILE . 4.6 tp -91.83 158.66 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.22 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -148.76 -30.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.916 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -114.66 145.86 41.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.95 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -120.32 159.02 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' HB2' ' CB ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -70.94 113.29 7.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 109.203 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.45 -15.57 27.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 71' ' ' LEU . 1.8 mtp85 -151.21 112.29 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.235 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.978 ' O ' HG23 ' A' ' 72' ' ' VAL . 50.3 m -71.05 59.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 79' ' ' ALA . 9.9 mp -37.81 -65.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 70' ' ' SER . 38.4 t 71.8 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.523 ' HA2' ' CD1' ' A' ' 64' ' ' LEU . . . 167.49 51.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 9.7 mt -130.57 169.89 14.99 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 0.787 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.81 162.46 22.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.1 pt20 -82.84 -10.93 58.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.06 -61.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.502 HH12 HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -82.42 -48.41 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.321 1.013 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.847 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -51.2 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -27.01 -63.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.98 -69.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -59.18 -11.96 4.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.95 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.62 -11.46 22.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 80' ' ' ALA . 32.0 m -83.03 -56.01 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -67.61 58.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 89' ' ' VAL . 1.2 m -86.74 -56.21 3.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 26.81 71.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 156.94 -66.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.025 HG23 HG23 ' A' ' 16' ' ' THR . 0.3 OUTLIER -154.57 137.83 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.939 HG23 HG13 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -120.48 162.77 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.496 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -151.12 136.35 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' A' ' 63' ' ' LEU . 5.1 mp -150.62 135.73 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.4 tt0 -102.8 108.6 19.89 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.067 HG22 HD11 ' A' ' 13' ' ' ILE . 2.9 m -100.32 166.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -90.57 113.67 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 94' ' ' VAL . 4.1 mm -110.57 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.716 ' CB ' HG22 ' A' ' 91' ' ' THR . 1.5 t -134.18 131.53 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -120.89 108.23 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.2 m -92.08 146.77 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.937 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -74.59 104.83 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.62 -52.25 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -97.88 -3.86 37.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.325 1.015 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.831 ' HA ' HD13 ' A' ' 17' ' ' LEU . 37.7 mt-30 52.28 41.94 30.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.851 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 58.6 t-20 -90.64 38.4 0.94 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 88.16 -72.2 2.43 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.425 1.078 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.514 ' HE3' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER 170.68 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.789 ' O ' HG13 ' A' ' 45' ' ' VAL . . . 84.27 58.95 2.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.39 1.057 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.969 HD23 HG22 ' A' ' 45' ' ' VAL . 21.1 mt -130.5 154.73 47.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 109.367 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -144.61 116.17 8.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.052 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.969 HD12 HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -138.82 172.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.223 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 29' ' ' ALA . 74.7 t -152.66 166.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.736 ' HB3' ' HG3' ' A' ' 76' ' ' GLN . . . -138.72 131.5 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.047 HG21 HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -101.98 150.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 58.2 m-85 -150.67 161.8 41.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -102.93 123.19 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.9 tppt? -74.56 -51.55 14.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.3 p 160.79 176.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.969 HG22 HD23 ' A' ' 25' ' ' LEU . 11.2 t -90.42 150.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 14.0 t -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 45' ' ' VAL . 6.0 tptt 94.36 31.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -167.87 48.43 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.41 168.22 25.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.937 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.82 -60.45 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -71.7 -5.68 35.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.725 ' OD1' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -76.77 -54.1 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 t -81.3 -32.3 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.6 -60.55 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -49.78 -57.02 10.2 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.574 1.171 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 55.18 44.64 27.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 0.79 . . . . 0.0 110.222 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.33 157.27 38.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.03 15.05 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.49 117.59 34.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.99 16.29 5.85 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -74.77 116.63 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 0.818 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 25.0 tt0 -73.32 112.02 8.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.047 HD23 HG21 ' A' ' 40' ' ' ILE . 1.7 tp -92.25 154.89 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -147.45 -37.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -111.25 155.19 23.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.844 HG21 ' HB1' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -125.3 161.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.494 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.1 t0 -70.64 123.71 22.52 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.19 72.75 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.9 mtt180 -150.38 118.41 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.8 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.735 ' O ' HG13 ' A' ' 72' ' ' VAL . 24.3 p -82.04 77.27 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.95 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.848 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.9 mp -55.67 -51.52 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER 75.57 -6.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 144.65 55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.799 ' CB ' HD23 ' A' ' 71' ' ' LEU . 14.5 mt -116.82 173.71 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 0.805 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 155.64 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.736 ' HG3' ' HB3' ' A' ' 29' ' ' ALA . 3.3 pp0? -72.68 -6.21 42.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -44.31 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.395 1.06 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -51.08 60.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.201 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.844 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -49.13 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.04 . . . . 0.0 109.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -10.67 -75.34 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.393 1.058 . . . . 0.0 109.42 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 83' ' ' MET . 4.5 tm-20 -43.3 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.04 11.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.692 1.245 . . . . 0.0 109.304 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.803 ' SD ' HG23 ' A' ' 66' ' ' VAL . 45.6 ttp -118.6 -10.0 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -100.21 -47.28 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 ttp-105 -66.53 59.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.912 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.41 -53.68 5.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.466 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 30.99 47.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.937 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 86' ' ' THR . 2.3 m 175.13 -67.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 86' ' ' THR . 12.3 p -152.91 155.34 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.912 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.75 92.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.216 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.716 HG22 ' CB ' ' A' ' 14' ' ' THR . 1.7 p -93.96 110.56 22.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.438 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.685 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -135.4 158.75 43.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.565 ' OE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -100.11 111.46 23.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 13' ' ' ILE . 26.6 m -112.78 169.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.765 ' O ' HD13 ' A' ' 13' ' ' ILE . 9.4 tt -75.74 115.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.765 HD13 ' O ' ' A' ' 12' ' ' ILE . 1.9 mm -124.73 148.65 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.749 HG22 ' CG2' ' A' ' 91' ' ' THR . 39.8 p -120.3 123.53 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.384 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.483 HG11 ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.42 129.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.352 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.701 ' OG1' HG23 ' A' ' 89' ' ' VAL . 21.0 m -120.97 131.05 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -53.01 112.79 0.92 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.07 -47.59 5.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -94.3 -2.97 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 53.01 39.27 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.701 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 53.4 t-20 -92.56 49.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 68.5 -59.66 0.46 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.453 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 166.91 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.36 74.68 0.75 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.588 ' CD2' HG12 ' A' ' 45' ' ' VAL . 3.9 mt -139.9 165.89 26.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.817 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.9 t -147.13 115.18 6.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.38 1.05 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' HE1' ' A' ' 83' ' ' MET . 0.6 OUTLIER -133.23 172.34 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -150.55 142.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.75 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -129.1 125.64 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.327 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.781 HG21 HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -105.08 156.47 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.627 0.839 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 59.7 m-85 -154.65 166.74 32.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.86 120.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.9 tppt? -75.47 -45.58 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.2 p 158.39 173.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.588 HG12 ' CD2' ' A' ' 25' ' ' LEU . 5.0 m -89.7 143.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.49 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 2.7 t -52.7 -23.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.365 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER 78.45 15.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -159.07 40.03 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -133.7 173.68 21.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.886 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.05 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.483 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -57.53 -29.29 64.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -57.34 -53.97 52.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG23 ' OD2' ' A' ' 52' ' ' ASP . 47.7 t -80.75 -64.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -49.76 -61.27 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -54.15 37.38 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 55.53 44.48 26.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.39 152.39 44.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.379 1.049 . . . . 0.0 109.328 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . . . -82.85 164.68 20.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.07 120.72 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.02 19.54 5.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -82.63 118.4 23.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.51 ' OE1' ' HB3' ' A' ' 95' ' ' ALA . 6.0 tt0 -74.31 112.51 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.781 HD23 HG21 ' A' ' 40' ' ' ILE . 2.9 tp -94.58 154.81 17.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.33 -34.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.516 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -113.21 157.01 22.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.089 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.948 HG23 HD13 ' A' ' 71' ' ' LEU . 5.0 t -125.01 173.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.604 ' H ' HG12 ' A' ' 66' ' ' VAL . 45.0 t0 -62.15 136.1 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 46.03 18.9 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 71' ' ' LEU . 12.1 mtp180 -151.26 77.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.408 0.711 . . . . 0.0 110.233 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 65' ' ' SER . 41.9 m -63.29 77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.948 HD13 HG23 ' A' ' 66' ' ' VAL . 8.9 mp -54.31 -52.01 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 85.59 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.478 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 144.77 54.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.708 ' CB ' HD23 ' A' ' 71' ' ' LEU . 14.4 mt -115.0 175.34 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.26 165.07 23.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.938 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.555 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -78.24 -15.6 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 2.0 mm-40 -39.43 -71.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -40.21 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.878 ' HB2' HG21 ' A' ' 66' ' ' VAL . . . -56.02 -91.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.697 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.06 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.9 tt0 -37.68 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -73.2 15.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.81 ' SD ' HG13 ' A' ' 66' ' ' VAL . 42.9 ttp -122.65 -4.77 8.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.455 1.097 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -107.18 -48.23 3.51 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -64.7 60.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.665 ' OG1' HG23 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.56 -54.36 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 30.29 52.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.8 m 164.81 -61.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.701 HG23 ' OG1' ' A' ' 16' ' ' THR . 13.1 p -158.61 140.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.665 HG23 ' OG1' ' A' ' 86' ' ' THR . 0.5 OUTLIER -129.6 112.41 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.749 ' CG2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER -95.46 163.68 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 110.445 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.742 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -168.17 139.57 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.403 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -105.16 107.18 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 4.0 m -104.79 169.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.564 ' C ' HD13 ' A' ' 13' ' ' ILE . 20.6 tt -92.12 129.34 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.671 HG12 HG22 ' A' ' 94' ' ' VAL . 1.6 mm -116.04 145.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.587 HG22 HG22 ' A' ' 91' ' ' THR . 72.1 p -122.54 118.18 27.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.71 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -110.33 109.18 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 m -94.59 153.85 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -83.3 102.29 11.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.394 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -85.76 -52.6 5.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.39 -5.97 53.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.5 mm100 54.08 40.17 31.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.626 1.204 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.829 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 55.4 m-20 -89.21 40.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 78.05 -60.39 3.85 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.158 . . . . 0.0 111.054 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.665 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.33 -70.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 78.91 47.36 7.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.769 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -116.67 161.26 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.2 t -144.32 117.19 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 110.071 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.516 HG12 ' CE ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -124.57 172.14 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 27' ' ' ILE . 47.6 t -153.63 148.64 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -129.33 137.95 51.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.091 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.556 HD11 ' O ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -102.83 138.83 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.611 0.83 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 51.0 m-85 -145.72 156.56 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 9.6 t -89.89 123.52 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 44' ' ' SER . 4.0 tttp -72.96 -43.55 62.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.5 p 151.62 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.624 1.202 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG12 ' CD2' ' A' ' 25' ' ' LEU . 20.8 m -93.66 154.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 55.5 t -71.65 -5.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 2.9 pttt 53.37 30.93 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.96 30.94 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.593 1.183 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -125.53 174.85 17.52 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.851 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -74.27 -62.1 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.71 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -66.79 -10.16 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.605 1.19 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -81.14 -52.67 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.387 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 ' OD2' ' A' ' 52' ' ' ASP . 77.1 t -74.37 -36.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.5 -48.85 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.625 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -67.3 -45.49 79.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 46.91 41.36 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 110.328 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.562 HD12 HD11 ' A' ' 25' ' ' LEU . 11.3 mt -70.22 150.52 46.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.2 162.14 17.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 44' ' ' SER . . . -90.22 123.95 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 9.34 8.54 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.5 m-20 -73.63 115.9 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 10.8 tt0 -73.74 110.48 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.66 152.23 21.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -143.06 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.84 160.62 19.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.569 1.168 . . . . 0.0 110.035 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.74 HG13 ' HB2' ' A' ' 69' ' ' ARG . 13.3 p -129.89 168.65 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' CA ' ' O ' ' A' ' 91' ' ' THR . 57.8 t0 -72.54 128.0 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.59 3.38 86.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.74 ' HB2' HG13 ' A' ' 66' ' ' VAL . 24.1 mtt-85 -152.25 122.45 7.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.76 ' O ' HG13 ' A' ' 72' ' ' VAL . 67.6 m -89.99 70.48 7.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 79' ' ' ALA . 77.7 mt -54.1 -56.9 13.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.902 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.31 -6.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 142.85 52.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.927 ' HB2' HD22 ' A' ' 71' ' ' LEU . 46.3 mt -113.17 175.62 5.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.427 0.722 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.84 153.38 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -65.98 -10.73 42.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.85 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.564 ' NH1' HD13 ' A' ' 74' ' ' LEU . 18.1 mtt180 -52.97 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' ' 71' ' ' LEU . . . -45.59 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.722 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.01 -83.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.4 tt0 -45.55 -64.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.31 11.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.689 ' SD ' HG23 ' A' ' 66' ' ' VAL . 12.2 ttp -117.95 -14.85 10.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.369 1.043 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.7 m -96.42 -51.49 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.368 1.042 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -66.07 63.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.896 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.36 -53.3 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 33.35 58.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.5 OUTLIER 163.54 -66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 86' ' ' THR . 7.7 p -155.6 156.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.896 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.4 89.9 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.587 HG22 HG22 ' A' ' 14' ' ' THR . 2.8 p -91.34 111.77 23.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.451 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.612 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -132.37 156.24 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -102.55 124.63 48.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.671 HG22 HG12 ' A' ' 13' ' ' ILE . 13.2 m -124.8 166.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.211 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -81.52 108.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.556 HG13 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -99.88 149.76 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.713 ' CB ' HG22 ' A' ' 91' ' ' THR . 67.1 p -136.68 141.6 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.362 1.039 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 90' ' ' VAL . 7.3 p -142.35 150.53 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.908 HG22 HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -115.56 154.31 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.385 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD11 ' C ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -75.46 82.62 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -70.6 -64.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.405 1.065 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -71.87 -6.83 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.83 40.47 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' HA2' ' A' ' 49' ' ' GLY . 27.3 m-20 -92.72 29.47 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.817 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 81.3 -49.31 3.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.523 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.28 -78.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 85.15 55.76 2.56 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.548 1.155 . . . . 0.0 111.074 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 25' ' ' LEU . 10.0 mt -126.43 150.04 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -133.63 119.33 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.12 164.5 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -151.07 136.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.701 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -124.41 136.27 53.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.558 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.8 HD11 ' O ' ' A' ' 74' ' ' LEU . 5.7 mt -109.8 167.47 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 65.0 m-85 -163.5 168.11 20.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' ASP . 25.4 t -107.45 120.21 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.396 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.0 tptt -73.96 -43.46 58.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.2 t 154.42 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -88.16 139.71 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -47.43 -31.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 17.7 tptt 90.32 3.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -152.04 43.81 0.66 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -131.2 176.07 19.24 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.24 -70.85 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 0.809 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.678 ' HA ' HG21 ' A' ' 15' ' ' VAL . . . -57.43 -34.28 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.77 -54.72 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.349 1.03 . . . . 0.0 109.204 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.07 -70.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.612 1.195 . . . . 0.0 109.239 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.57 -61.6 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -52.57 48.16 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 55.46 44.67 26.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.89 164.84 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.42 171.96 8.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.53 133.09 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.88 19.43 10.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -84.19 118.92 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 1.4 tt0 -73.88 121.7 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.998 HD11 ' HB2' ' A' ' 92' ' ' LEU . 1.9 tp -101.8 157.29 16.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.804 HD23 ' HA2' ' A' ' 73' ' ' GLY . 5.2 mt -140.14 -38.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.583 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -110.46 156.7 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.937 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.957 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -129.17 158.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.383 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -69.83 125.73 27.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.219 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 -15.71 62.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -150.6 114.43 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.785 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.5 p -81.39 74.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.955 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.31 -54.78 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.955 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.63 -5.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.804 ' HA2' HD23 ' A' ' 64' ' ' LEU . . . 153.23 53.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.531 1.145 . . . . 0.0 111.083 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.8 ' O ' HD11 ' A' ' 40' ' ' ILE . 6.2 mt -125.15 173.26 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.48 ' CB ' ' CD ' ' A' ' 77' ' ' GLU . 3.4 m -73.71 156.01 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.71 HE21 ' N ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -82.48 -11.24 58.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.71 ' N ' HE21 ' A' ' 76' ' ' GLN . 1.9 pt-20 -41.02 -57.58 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.14 -52.47 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.888 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -50.52 -72.45 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -28.54 -58.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 109.425 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -42.88 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.208 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.76 -6.68 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.957 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.85 -14.6 19.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 80' ' ' ALA . 6.6 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -67.79 59.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.769 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.7 -55.52 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 31.52 53.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.964 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.95 -63.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.09 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.908 HG23 HG22 ' A' ' 16' ' ' THR . 0.5 OUTLIER -157.85 151.3 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.769 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.88 143.76 40.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.713 HG22 ' CB ' ' A' ' 14' ' ' THR . 35.7 p -151.06 129.41 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.998 ' HB2' HD11 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -155.61 151.64 27.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.6 tt0 -86.82 120.5 28.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 13' ' ' ILE . 5.2 m -114.86 171.41 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 109.221 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 12' ' ' ILE . 19.5 tt -92.61 111.38 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -102.17 145.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.615 1.197 . . . . 0.0 109.272 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.775 ' CB ' HG22 ' A' ' 91' ' ' THR . 21.3 p -119.61 112.84 19.82 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.611 1.195 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.835 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -105.79 109.23 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -95.18 146.07 24.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -75.76 107.06 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.36 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -47.59 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -91.38 -3.55 56.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 53.21 41.01 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.762 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.8 t-20 -91.83 34.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.558 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 76.43 -53.47 3.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.55 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.3 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 87.15 46.95 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.756 HD22 HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -115.36 164.02 14.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -146.36 110.84 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.928 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.033 HD11 ' CD ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -126.54 177.46 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.741 ' O ' HG22 ' A' ' 40' ' ' ILE . 4.2 p -153.17 161.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.402 1.064 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -142.32 120.15 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.234 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.227 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.14 140.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 28.8 m-85 -140.64 161.09 38.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.91 120.19 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.2 tttt -73.5 -42.6 61.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 154.04 173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.756 HG12 HD22 ' A' ' 25' ' ' LEU . 14.1 m -97.49 136.49 28.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.0 t -40.31 -30.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.415 1.072 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.3 tptt 80.71 11.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.8 34.73 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.95 177.84 16.49 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.829 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -74.1 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 0.8 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.835 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -67.92 -8.32 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -53.56 6.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.472 HG23 ' OD2' ' A' ' 52' ' ' ASP . 93.8 t -76.23 -31.21 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.33 -42.74 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.56 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -75.62 -44.11 21.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 47.99 42.44 16.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.226 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 HD11 ' A' ' 25' ' ' LEU . 34.9 mt -67.82 154.49 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.23 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 163.24 24.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -103.55 116.7 32.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.608 1.192 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.09 16.34 5.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 19.4 m-20 -74.41 170.53 15.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 35.7 tt0 -120.59 111.64 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.707 HD23 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -88.62 149.81 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -141.74 -34.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.622 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -115.06 153.41 30.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.832 HG21 ' CB ' ' A' ' 79' ' ' ALA . 3.7 p -126.18 155.19 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.615 ' H ' HD12 ' A' ' 92' ' ' LEU . 49.4 t0 -66.25 122.64 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.51 -24.43 32.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.1 mtp85 -139.51 118.69 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.725 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -78.12 76.0 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 72' ' ' VAL . 81.6 mt -54.97 -55.7 27.84 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.8 -8.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 109.275 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 147.71 54.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.857 ' HB2' HD22 ' A' ' 71' ' ' LEU . 12.2 mt -116.76 174.0 6.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 0.802 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.8 167.69 19.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 1.033 ' CD ' HD11 ' A' ' 27' ' ' ILE . 1.6 mm100 -74.52 -11.37 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.24 -71.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -53.88 53.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.832 ' CB ' HG21 ' A' ' 66' ' ' VAL . . . -50.81 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 2.49 -80.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.379 1.049 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.643 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.9 tt0 -52.61 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.54 20.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.789 ' HE2' HD13 ' A' ' 27' ' ' ILE . 3.3 tpt -121.8 -29.39 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.558 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 1.3 m -89.78 -52.25 5.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -64.33 67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 1.003 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -83.73 -51.27 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.5 OUTLIER 34.62 58.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.085 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 161.33 -64.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.058 . . . . 0.0 110.039 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.549 ' N ' HG23 ' A' ' 86' ' ' THR . 11.6 p -164.12 152.3 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.003 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -121.22 94.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.057 ' C ' HD13 ' A' ' 92' ' ' LEU . 5.4 p -94.36 104.74 16.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.057 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -121.29 167.37 12.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 64' ' ' LEU . 44.2 tt0 -116.6 111.82 20.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 13' ' ' ILE . 16.8 m -112.03 164.9 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.371 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 12' ' ' ILE . 15.1 tt -92.6 110.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.735 HG13 HG22 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -97.8 145.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.815 ' CB ' HG22 ' A' ' 91' ' ' THR . 16.7 p -132.87 110.31 10.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.842 HG13 HG23 ' A' ' 90' ' ' VAL . 8.6 p -114.5 125.81 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' LYS . 93.8 m -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 110.409 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -59.13 85.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -67.25 -69.27 0.32 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.381 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -77.21 -7.08 55.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.65 ' HA ' HD13 ' A' ' 17' ' ' LEU . 29.1 mt-30 53.06 41.23 32.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' MET . 5.4 m-20 -105.1 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.255 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 66.55 -65.8 0.17 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.534 ' HE3' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER 165.48 -65.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.917 ' O ' HG13 ' A' ' 45' ' ' VAL . . . 79.31 79.34 0.82 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 45' ' ' VAL . 7.1 mt -152.45 152.44 31.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.781 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.23 109.23 5.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.539 1.149 . . . . 0.0 109.952 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' A' ' 63' ' ' LEU . 1.3 pt -121.54 175.38 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.05 142.13 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.616 1.197 . . . . 0.0 109.349 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -127.27 123.64 36.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.952 HG21 HD23 ' A' ' 63' ' ' LEU . 1.4 mt -102.05 155.02 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.464 0.743 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 66.4 m-85 -159.12 165.82 32.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.355 1.034 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 15.3 t -103.09 124.63 57.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.505 ' O ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -80.98 -55.11 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 173.95 173.79 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 24' ' ' GLY . 8.2 t -96.99 149.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.058 . . . . 0.0 109.203 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.8 t -65.54 -16.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER 71.51 21.16 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -160.66 61.48 0.29 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -152.75 177.58 30.36 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -67.71 -64.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -67.1 -8.2 28.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.796 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.63 -56.25 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 t -81.34 -34.5 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.36 -60.21 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.61 -57.7 18.45 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 56.47 42.85 26.89 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 0.78 . . . . 0.0 110.261 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.16 169.15 15.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.38 171.16 7.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -94.28 127.59 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.77 8.25 8.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m-20 -75.07 112.1 10.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 55.6 tt0 -73.86 116.76 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.952 HD23 HG21 ' A' ' 40' ' ' ILE . 3.0 tp -97.64 155.56 16.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.621 HD23 ' CA ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -146.29 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.98 160.58 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.095 . . . . 0.0 109.961 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.809 HG23 ' SD ' ' A' ' 83' ' ' MET . 2.2 p -130.81 169.81 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.4 t0 -71.41 131.52 43.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 69' ' ' ARG . . . 76.83 -5.86 44.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.602 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -150.1 116.57 5.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 0.777 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LEU . 58.3 p -86.66 65.13 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.814 ' O ' HG12 ' A' ' 72' ' ' VAL . 7.9 mp -37.31 -55.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.814 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 82.76 -5.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.407 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.621 ' CA ' HD23 ' A' ' 64' ' ' LEU . . . 142.41 54.6 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.784 ' O ' HD11 ' A' ' 40' ' ' ILE . 16.8 mt -117.53 175.11 5.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 0.785 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.65 168.05 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.523 ' OE1' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -79.61 -10.72 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.56 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.678 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.01 -58.53 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.643 1.214 . . . . 0.0 110.355 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.8 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -44.61 -81.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.641 1.213 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.08 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.225 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 83' ' ' MET . 6.5 tt0 -42.42 -67.17 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -73.53 14.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.072 . . . . 0.0 109.27 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.809 ' SD ' HG23 ' A' ' 66' ' ' VAL . 46.6 ttp -122.63 -7.44 8.57 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.542 1.151 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -103.28 -48.66 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 59.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.885 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.8 -54.17 4.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.428 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 29.64 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m 175.25 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.929 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.576 ' O ' HG23 ' A' ' 86' ' ' THR . 14.9 p -153.93 154.91 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.885 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -130.39 103.66 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.815 HG22 ' CB ' ' A' ' 14' ' ' THR . 1.5 p -105.18 110.78 23.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.514 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -134.2 159.62 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 6.3 tt0 -102.99 111.53 23.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.735 HG22 HG13 ' A' ' 13' ' ' ILE . 5.8 m -117.81 158.49 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.685 ' HB3' HD11 ' A' ' 13' ' ' ILE . 8.0 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.788 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -88.65 110.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.862 HG12 HG22 ' A' ' 94' ' ' VAL . 1.5 mm -105.52 145.21 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.847 ' HB ' HG22 ' A' ' 91' ' ' THR . 68.6 p -128.43 111.19 13.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -106.18 111.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 7.4 m -101.13 120.25 39.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.605 1.191 . . . . 0.0 110.372 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -40.42 117.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -45.03 5.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -95.15 -4.34 46.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.479 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 91.6 mt-30 55.51 41.51 30.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.265 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.767 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -95.64 44.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.485 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 70.28 -56.87 0.86 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.528 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 167.48 -80.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 110.975 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' HA2' HG21 ' A' ' 46' ' ' VAL . . . 82.88 62.18 1.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.572 ' CD2' HG12 ' A' ' 45' ' ' VAL . 3.1 mt -129.62 165.13 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -146.56 116.49 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.003 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.701 HD11 ' HE3' ' A' ' 83' ' ' MET . 0.3 OUTLIER -145.59 168.41 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.3 171.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -139.26 127.8 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 1.061 . . . . 0.0 109.184 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.058 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.0 HG21 HD23 ' A' ' 63' ' ' LEU . 1.1 mt -98.91 146.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 62.4 m-85 -149.31 161.75 41.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.592 1.182 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.507 HG22 ' CG2' ' A' ' 27' ' ' ILE . 42.5 t -102.4 128.58 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 tttt -79.93 -43.19 22.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER 159.46 172.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 25' ' ' LEU . 5.5 m -93.29 137.49 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.7 t -40.36 -33.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 23.7 tptt 87.98 8.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.37 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.15 36.46 0.65 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -122.57 176.05 16.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.767 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -68.71 -67.3 0.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -61.36 -24.72 66.67 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.08 -55.29 30.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' OD2' ' A' ' 52' ' ' ASP . 59.7 t -77.85 -59.32 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -61.22 2.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.86 -51.06 60.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 55.13 45.91 25.07 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.27 165.01 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.11 . . . . 0.0 109.203 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.81 156.05 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -94.38 113.74 25.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.11 23.77 3.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 6.3 m-20 -74.63 170.99 14.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 36.3 tt0 -119.37 107.71 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.337 1.023 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.0 HD23 HG21 ' A' ' 40' ' ' ILE . 2.6 tp -88.75 155.18 19.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.786 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -146.48 -37.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 1.4 p -115.66 163.03 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.862 HG23 ' SD ' ' A' ' 83' ' ' MET . 9.0 p -131.7 164.25 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 0.0 109.437 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.506 ' CA ' ' O ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -72.88 129.59 38.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 -8.81 74.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.589 1.18 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 66' ' ' VAL . 51.8 mtp85 -150.88 118.93 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.731 ' O ' HG13 ' A' ' 72' ' ' VAL . 62.1 m -85.09 75.46 10.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 72' ' ' VAL . 4.0 mt -54.62 -60.63 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.88 -5.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.552 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 150.75 52.23 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.831 ' HB2' HD22 ' A' ' 71' ' ' LEU . 13.5 mt -116.15 172.52 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 0.702 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 152.46 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.823 ' CG ' ' HB2' ' A' ' 29' ' ' ALA . 1.6 mm100 -64.68 -11.0 31.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.621 1.201 . . . . 0.0 110.211 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -43.82 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -47.79 -56.29 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.706 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.86 -90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 4.74 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.8 tt0 -51.31 -69.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -54.25 -15.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.862 ' SD ' HG23 ' A' ' 66' ' ' VAL . 32.0 ttp -97.41 -15.63 20.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.564 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -76.68 -64.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -66.86 66.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.995 HG21 HG13 ' A' ' 90' ' ' VAL . 22.6 m -82.91 -41.92 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 89.55 -64.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 89' ' ' VAL . 17.6 m -175.04 50.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.777 ' H ' HG22 ' A' ' 86' ' ' THR . 14.0 p 178.66 92.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.995 HG13 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -105.84 93.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.847 HG22 ' HB ' ' A' ' 14' ' ' THR . 0.8 OUTLIER -97.42 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.802 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -130.85 162.42 29.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 29.3 tt0 -105.56 112.36 25.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 13' ' ' ILE . 22.2 m -115.27 168.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 12' ' ' ILE . 8.1 tt -82.19 116.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.652 ' CG1' HG22 ' A' ' 94' ' ' VAL . 1.4 mm -101.43 143.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.74 ' HB ' HG22 ' A' ' 91' ' ' THR . 0.9 OUTLIER -125.04 122.06 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.646 1.216 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.733 HG13 HG23 ' A' ' 90' ' ' VAL . 12.2 p -117.73 131.12 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 m -105.32 159.52 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -89.71 107.72 19.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.87 -55.6 3.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -76.35 -1.89 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 55.83 35.32 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.817 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 1.8 m-20 -100.07 153.0 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.65 -63.12 0.05 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.96 -49.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 61.11 62.37 5.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.717 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.2 mt -126.0 165.58 18.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.8 m -144.94 114.74 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.619 HD12 ' N ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -132.09 166.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.619 ' N ' HD12 ' A' ' 27' ' ' ILE . 2.3 p -152.8 139.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -125.41 142.69 51.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.908 HG21 HD23 ' A' ' 63' ' ' LEU . 1.3 mt -99.63 160.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 68.7 m-85 -158.85 152.62 23.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG2' ' OD2' ' A' ' 61' ' ' ASP . 24.8 t -95.49 120.08 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 44' ' ' SER . 15.1 tttt -73.38 -46.02 51.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.594 1.184 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 p 156.13 173.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.717 HG12 ' CD2' ' A' ' 25' ' ' LEU . 13.7 m -89.27 134.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.509 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.1 t -53.41 -20.37 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.6 tptt 74.97 31.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.42 45.27 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.417 1.073 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -144.56 162.69 27.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.859 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -62.1 -47.32 85.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -75.13 -29.1 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.75 -51.8 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG23 ' OD2' ' A' ' 52' ' ' ASP . 19.1 t -81.59 -64.06 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -50.61 -62.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.236 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.01 -60.92 6.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.87 44.47 25.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.62 158.38 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 156.35 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -108.14 113.51 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.6 16.21 6.56 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.5 p30 -80.13 171.88 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.8 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 23.7 tt0 -108.42 109.84 21.22 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.908 HD23 HG21 ' A' ' 40' ' ' ILE . 2.7 tp -93.86 154.48 17.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.653 HD13 ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -146.95 -36.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.489 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 3.4 m -108.3 146.31 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.859 ' CB ' ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -120.37 161.25 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.57 ' H ' HD22 ' A' ' 92' ' ' LEU . 15.4 t70 -70.57 113.94 8.18 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.556 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 109.11 -15.73 33.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.41 1.068 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -150.4 117.48 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' LEU . 57.0 m -75.98 55.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.934 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD23 ' CB ' ' A' ' 74' ' ' LEU . 9.3 mp -33.91 -64.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.399 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 85.76 -11.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.373 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.34 50.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.457 1.098 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.85 ' O ' HD11 ' A' ' 40' ' ' ILE . 11.5 mt -120.93 172.02 8.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.778 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.4 p -73.95 155.57 38.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 109.941 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.779 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -81.5 -5.78 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' HE21 ' A' ' 76' ' ' GLN . 8.7 mm-40 -46.77 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.18 . . . . 0.0 110.302 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.448 HH12 HD22 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -80.46 -41.23 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.218 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.859 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -60.11 -75.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -25.57 -45.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 79' ' ' ALA . 11.5 tt0 -60.37 -79.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.955 HD13 ' O ' ' A' ' 82' ' ' LEU . 1.4 tm? -49.35 -21.92 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.424 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.855 ' SD ' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -87.31 -22.77 24.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 80' ' ' ALA . 9.2 m -64.8 -58.05 7.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.03 58.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 110.404 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.928 ' OG1' HG13 ' A' ' 90' ' ' VAL . 1.9 m -87.48 -57.02 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 29.55 77.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.931 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 153.73 -60.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 86' ' ' THR . 8.5 p -168.28 131.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.928 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.04 110.79 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.047 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -97.9 106.74 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.047 HD23 ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.04 144.05 50.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.653 ' OE2' HD13 ' A' ' 64' ' ' LEU . 25.5 tt0 -95.05 123.04 38.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.652 HG22 ' CG1' ' A' ' 13' ' ' ILE . 5.1 m -113.28 170.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.8 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 13.4 pt-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.04 111.37 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mt -107.9 150.51 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.623 ' CB ' HG22 ' A' ' 91' ' ' THR . 8.8 t -121.58 129.06 52.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -116.63 111.71 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.387 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.764 HG23 HG12 ' A' ' 89' ' ' VAL . 28.4 m -86.46 144.59 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -69.23 97.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -81.6 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.058 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -4.56 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.342 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 56.32 34.57 24.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.649 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 t-20 -111.24 162.33 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.61 -66.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.745 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 157.71 -44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 0.704 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 46' ' ' VAL . . . 61.04 66.17 2.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 25' ' ' LEU . 3.4 mt -123.69 155.76 37.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.6 t -140.4 109.95 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 0.2 OUTLIER -129.08 169.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.59 143.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.221 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -126.48 141.05 52.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.941 HG21 HD23 ' A' ' 63' ' ' LEU . 1.1 mt -100.71 156.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.596 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -151.72 172.13 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.094 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.2 t -119.3 118.0 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -72.95 -47.27 46.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 t 154.17 173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.081 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG23 ' H ' ' A' ' 47' ' ' LYS . 12.8 m -81.09 157.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.388 1.055 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 24' ' ' GLY . 60.0 t -81.14 4.57 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 18.5 pttt 49.05 44.25 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -178.43 42.93 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.489 ' HA3' ' C ' ' A' ' 23' ' ' MET . . . -146.21 166.9 27.99 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.653 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -61.68 -59.31 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.405 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -65.25 -28.22 69.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.62 -52.85 63.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 t -80.66 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -52.49 -64.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.394 1.059 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' ALA . . . -50.32 -56.29 13.33 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.396 1.06 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 55.21 45.96 24.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 0.811 . . . . 0.0 110.354 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 mt -69.55 148.67 49.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.57 154.01 21.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 44' ' ' SER . . . -81.42 115.44 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.596 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 117.71 42.82 0.6 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.1 m-20 -106.76 116.3 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 95' ' ' ALA . 3.1 tt0 -74.63 115.85 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.941 HD23 HG21 ' A' ' 40' ' ' ILE . 1.1 tp -99.44 152.12 20.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -137.45 -40.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.422 1.076 . . . . 0.0 109.355 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.545 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -109.03 155.54 20.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.982 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -125.86 158.08 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.495 ' CA ' ' O ' ' A' ' 91' ' ' THR . 61.4 t0 -70.37 115.46 9.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.687 1.242 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.409 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 107.48 -19.14 34.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -151.12 115.57 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 110.258 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.789 ' O ' HG13 ' A' ' 72' ' ' VAL . 45.0 p -78.29 74.1 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.988 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.43 -51.56 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.415 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.988 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.56 -5.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.506 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 148.9 53.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.415 1.072 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 9.2 mt -121.23 173.25 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.472 ' HA ' ' HB1' ' A' ' 29' ' ' ALA . 51.9 p -71.92 156.56 39.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.63 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.4 pt20 -82.49 -14.17 55.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.629 1.206 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -38.27 -57.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -56.64 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.828 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -47.71 -69.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -27.03 -63.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.84 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 82' ' ' LEU . 1.2 tm? -61.09 -12.11 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.982 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -96.06 -16.15 21.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.62 ' N ' ' O ' ' A' ' 80' ' ' ALA . 24.8 m -78.99 -57.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.67 61.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.842 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.98 -55.76 4.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.434 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 m 67.2 -60.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' THR . 4.7 m -78.8 -91.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 86' ' ' THR . 1.0 OUTLIER -125.88 170.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.842 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.32 105.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.816 ' C ' HD23 ' A' ' 92' ' ' LEU . 1.2 p -97.93 106.76 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.848 HD22 ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.98 151.84 51.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.412 1.07 . . . . 0.0 109.203 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.3 tt0 -98.7 116.52 31.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.1 m -119.67 165.88 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' ILE . 11.2 tt -90.25 111.95 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 94' ' ' VAL . 2.5 mm -98.25 145.89 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.69 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.0 t -125.42 122.13 35.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.986 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -112.22 114.2 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -88.14 148.25 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -83.35 95.46 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -78.95 -63.63 1.37 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.586 1.178 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -78.12 -4.35 46.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.531 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 52.58 41.19 31.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.748 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 49.3 t-20 -91.14 37.62 0.94 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.564 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 77.13 -53.45 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.758 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.74 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.549 0.793 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 88.15 45.32 5.09 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.772 HD22 HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -114.32 162.68 16.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -144.81 118.98 9.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.621 1.201 . . . . 0.0 109.95 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.625 HD12 HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -134.73 172.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.411 ' N ' HG13 ' A' ' 27' ' ' ILE . 33.9 t -150.24 156.02 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -136.26 132.83 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.22 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.638 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.1 mt -102.24 156.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 0.775 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 61.5 m-85 -155.17 169.69 23.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' GLY . 54.2 t -110.81 121.46 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.665 1.228 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 tttm -74.18 -44.93 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.6 t 156.04 174.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.772 HG12 HD22 ' A' ' 25' ' ' LEU . 18.8 m -93.67 135.34 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.647 1.217 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.3 t -39.79 -30.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.635 1.21 . . . . 0.0 109.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 tptp 83.42 10.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -154.44 38.97 0.66 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -124.25 176.24 16.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.626 0.839 . . . . 0.0 111.045 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.748 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -72.21 -65.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.986 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -69.09 -6.6 29.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.79 -52.09 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.396 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.3 -31.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.201 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -81.51 -52.38 7.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -61.27 -54.07 39.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.07 44.89 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.417 HD21 HG21 ' A' ' 13' ' ' ILE . 77.0 mt -70.87 161.16 31.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.374 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.668 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . . . -75.66 158.55 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 44' ' ' SER . . . -104.55 110.2 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.37 22.07 4.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.434 1.083 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.668 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 26.7 m-20 -74.3 169.81 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 21.8 tt0 -113.78 112.13 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.73 HD11 ' CB ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -95.06 151.99 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.575 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.3 -35.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.565 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -114.9 163.55 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.057 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.094 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 1.3 t -133.37 160.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 48.1 t0 -60.78 128.62 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -31.9 5.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 66' ' ' VAL . 1.7 mtt-85 -137.71 112.56 8.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.629 ' O ' ' C ' ' A' ' 71' ' ' LEU . 88.7 p -78.24 50.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.822 HD21 ' HB ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -20.62 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 89.11 -7.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.524 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 150.69 52.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.439 1.087 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.638 ' O ' HD11 ' A' ' 40' ' ' ILE . 18.6 mt -114.31 173.3 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.78 155.81 38.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -65.58 -9.27 25.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -44.38 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -39.69 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.215 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.094 ' HB1' ' CG2' ' A' ' 66' ' ' VAL . . . -59.68 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.64 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -15.14 -69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.3 tt0 -42.03 -69.3 0.14 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.12 7.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.861 ' SD ' HG22 ' A' ' 66' ' ' VAL . 8.8 ttp -112.35 -7.57 13.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.5 m -103.34 -53.33 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -64.86 64.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.609 1.193 . . . . 0.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.771 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.74 -54.14 5.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t 67.31 -58.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.97 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.09 -77.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 86' ' ' THR . 0.9 OUTLIER -140.67 158.72 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.771 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.52 109.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.054 ' C ' HD13 ' A' ' 92' ' ' LEU . 2.2 p -108.31 105.4 15.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.463 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.054 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -126.3 153.7 44.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.219 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.41 113.99 25.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.702 HG13 HD12 ' A' ' 63' ' ' LEU . 9.2 m -120.42 167.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.519 ' C ' HD13 ' A' ' 13' ' ' ILE . 1.2 tt -89.06 111.04 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.223 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.664 ' CG1' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -99.86 140.66 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.679 HG23 HG22 ' A' ' 91' ' ' THR . 3.0 m -118.73 109.19 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.909 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -105.76 108.71 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.405 ' OG1' ' CG1' ' A' ' 89' ' ' VAL . 1.1 m -94.92 155.32 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -96.24 109.06 21.6 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -48.61 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 0.0 109.401 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -88.1 -5.35 58.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.216 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 52.59 39.25 27.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.636 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.8 t-20 -87.26 48.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 70.1 -54.52 0.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.413 1.07 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 158.92 -70.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 0.808 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 78.28 66.96 1.68 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 45' ' ' VAL . 15.3 mt -132.94 160.54 36.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.1 t -142.64 122.37 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.584 HD13 ' CE ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.44 169.38 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -151.67 131.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.38 141.81 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.867 HD11 ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -95.03 149.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 0.799 . . . . 0.0 109.274 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 55.5 m-85 -147.4 170.19 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 1.199 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 54.2 t -106.7 121.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 44' ' ' SER . 16.9 tptm -73.59 -44.71 56.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 157.1 173.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 11.6 m -94.47 136.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 3.4 t -42.98 -28.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 82.71 7.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -150.96 35.42 0.91 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.85 170.69 13.91 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.914 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -71.6 -53.06 14.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 109.38 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.909 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -77.51 -8.48 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -52.5 7.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.499 HG23 ' OD2' ' A' ' 52' ' ' ASP . 42.8 t -81.04 -33.19 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 55.8 t0 -79.01 -51.5 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -65.81 -48.25 68.36 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 55.46 45.23 25.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.382 0.696 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.632 ' CD2' HG21 ' A' ' 13' ' ' ILE . 56.7 mt -69.38 151.92 45.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 61' ' ' ASP . . . -81.65 146.96 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.45 116.65 27.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.46 16.23 5.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 26.7 m-20 -73.51 167.44 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 0.83 . . . . 0.0 109.268 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -117.77 106.75 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.826 HD23 HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -82.66 153.46 25.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.783 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 64.1 mt -144.11 -39.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.557 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -119.51 168.39 11.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.853 HG23 ' SD ' ' A' ' 83' ' ' MET . 9.8 p -131.36 169.29 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.533 ' H ' HD12 ' A' ' 92' ' ' LEU . 1.6 p-10 -70.78 128.77 37.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.205 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.08 -11.51 42.33 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.472 1.108 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.811 ' O ' HG12 ' A' ' 66' ' ' VAL . 41.5 mtp180 -151.49 105.08 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 15.4 m -78.13 80.53 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.961 HD22 ' HB2' ' A' ' 74' ' ' LEU . 64.5 mt -45.42 -50.91 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 81.85 -7.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 140.72 48.69 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.961 ' HB2' HD22 ' A' ' 71' ' ' LEU . 30.7 mt -110.4 176.3 5.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 109.244 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.1 m -71.02 150.13 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -68.04 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.6 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -47.71 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.917 ' HB2' HD11 ' A' ' 71' ' ' LEU . . . -46.38 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.31 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.7 tt0 -42.14 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -72.63 12.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.853 ' SD ' HG23 ' A' ' 66' ' ' VAL . 55.6 ttp -117.79 -14.13 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.6 m -96.39 -58.59 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -67.13 54.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 89' ' ' VAL . 13.4 m -88.93 -53.14 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.35 -73.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -50.07 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.915 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 86' ' ' THR . 1.5 m -137.79 139.67 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.5 ' CG1' ' HB ' ' A' ' 86' ' ' THR . 3.7 m -103.89 102.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.054 ' C ' HD13 ' A' ' 92' ' ' LEU . 3.0 p -102.15 104.59 15.2 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.054 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -119.12 164.07 16.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.176 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.2 tt0 -108.76 107.86 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.664 HG22 ' CG1' ' A' ' 13' ' ' ILE . 23.1 m -127.87 161.51 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.637 1.211 . . . . 0.0 109.265 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.912 0 CA-C-O 118.726 -1.041 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.63 169.08 23.19 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.133 2.556 . . . . 0.0 111.088 173.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 pp -149.65 143.83 25.76 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.281 1.032 . . . . 0.0 108.654 167.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.21 -122.97 0.22 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.215 0.912 . . . . 0.0 113.551 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -155.19 -62.44 0.12 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.984 -0.715 . . . . 0.0 109.762 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -166.18 126.71 1.72 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.996 1.718 . . . . 0.0 108.731 175.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -161.18 156.28 24.06 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.141 1.376 . . . . 0.0 108.124 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -89.81 67.43 7.27 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.185 0.517 . . . . 0.0 110.216 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -147.39 165.67 18.23 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.904 0.882 . . . . 0.0 111.719 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.56 119.85 5.36 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.137 2.558 . . . . 0.0 110.484 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -166.75 174.13 8.93 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 122.364 1.078 . . . . 0.0 110.912 -165.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.45 135.83 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.604 157.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mt -132.44 146.44 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -134.47 143.3 47.42 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.812 -1.18 . . . . 0.0 110.96 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG1' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -139.02 95.36 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 122.07 0.938 . . . . 0.0 109.399 -161.247 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -75.95 154.15 36.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.335 1.454 . . . . 0.0 112.869 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.13 49.52 1.11 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.998 1.319 . . . . 0.0 112.014 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -36.36 -36.8 0.11 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 128.326 2.65 . . . . 0.0 116.714 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -132.78 23.71 4.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.324 1.85 . . . . 0.0 112.564 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 52.24 -13.04 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 129.934 3.294 . . . . 0.0 119.833 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -71.05 46.35 0.1 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.83 2.452 . . . . 0.0 114.565 -174.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.7 179.92 2.64 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.756 -1.215 . . . . 0.0 112.665 -164.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 mtp -71.43 -49.47 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.62 -1.517 . . . . 0.0 111.703 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 61.01 5.23 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.472 0.558 . . . . 0.0 112.281 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.07 172.2 12.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.71 1.204 . . . . 0.0 110.082 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -140.86 124.17 16.66 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 120.006 -1.683 . . . . 0.0 109.315 -176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.32 152.49 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.986 1.314 . . . . 0.0 110.18 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.1 t -136.39 127.56 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.336 1.454 . . . . 0.0 107.928 173.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.96 164.02 13.08 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 122.177 0.989 . . . . 0.0 111.066 165.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.15 170.56 9.44 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.492 1.117 . . . . 0.0 109.504 164.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -128.73 169.88 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 125.287 1.435 . . . . 0.0 110.211 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.65 49.76 4.29 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.225 0.917 . . . . 0.0 112.115 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.93 131.46 15.79 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.089 0.956 . . . . 0.0 111.362 -171.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.03 -35.92 0.76 Allowed Glycine 0 N--CA 1.476 1.349 0 C-N-CA 124.922 1.249 . . . . 0.0 114.511 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -131.1 156.31 45.46 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.812 1.645 . . . . 0.0 109.221 156.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -75.92 11.12 1.52 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 128.869 2.868 . . . . 0.0 116.387 -167.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -100.52 -45.25 5.6 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -143.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.3 tp 54.02 175.01 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 125.071 1.348 . . . . 0.0 113.611 -171.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.08 -178.15 16.46 Favored Glycine 0 N--CA 1.475 1.253 0 O-C-N 120.52 -1.362 . . . . 0.0 114.343 173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mt -147.48 149.14 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.145 1.378 . . . . 0.0 108.906 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -145.88 137.09 24.75 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.567 1.147 . . . . 0.0 111.27 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.07 99.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.373 1.069 . . . . 0.0 108.364 162.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.3 -38.85 92.51 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.72 -0.613 . . . . 0.0 111.382 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.3 p -172.25 173.51 4.21 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.106 0.963 . . . . 0.0 112.769 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.8 m -74.72 166.86 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.379 148.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.18 13.15 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 120.162 1.346 . . . . 0.0 112.717 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 58.24 35.52 25.01 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.022 -1.049 . . . . 0.0 111.727 168.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 174.68 36.05 0.04 OUTLIER Glycine 0 CA--C 1.54 1.646 0 N-CA-C 116.671 1.428 . . . . 0.0 116.671 -172.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -147.89 167.83 28.79 Favored Glycine 0 N--CA 1.476 1.348 0 CA-C-N 119.946 1.873 . . . . 0.0 113.982 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.58 82.77 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.214 -1.168 . . . . 0.0 113.518 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.01 -26.43 33.85 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.614 0.766 . . . . 0.0 111.983 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -60.6 3.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.254 1.021 . . . . 0.0 111.718 164.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.67 -30.37 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -120.69 -12.55 8.85 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -89.35 -34.12 8.9 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 121.508 -0.745 . . . . 0.0 113.62 166.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtm-85 47.83 43.54 17.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.479 1.512 . . . . 0.0 113.317 171.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.15 153.91 17.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.725 1.21 . . . . 0.0 111.804 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.8 143.77 26.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.635 1.207 . . . . 0.0 111.746 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 125.51 23.04 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.414 -0.804 . . . . 0.0 109.629 167.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 -4.21 48.15 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 125.536 1.541 . . . . 0.0 116.07 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.36 112.13 2.3 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.656 1.728 . . . . 0.0 111.71 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.82 94.37 2.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.899 1.28 . . . . 0.0 111.064 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.25 143.77 55.14 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.307 1.843 . . . . 0.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -133.3 -37.15 0.97 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.979 1.712 . . . . 0.0 112.993 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -136.89 166.18 24.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.817 1.247 . . . . 0.0 112.072 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.23 158.45 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.406 1.482 . . . . 0.0 111.133 -164.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -51.87 132.35 31.78 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.933 0.873 . . . . 0.0 112.459 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.57 -2.87 0.71 Allowed Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.478 1.351 . . . . 0.0 116.478 -173.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -141.82 94.31 2.66 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.275 2.037 . . . . 0.0 112.122 -172.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -62.81 65.47 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.612 2.365 . . . . 0.0 114.363 169.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -61.95 -27.89 69.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.277 21.4 m 45.8 -1.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 130.063 3.345 . . . . 0.0 118.406 -167.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.68 38.48 0.02 OUTLIER Glycine 0 CA--C 1.539 1.552 0 CA-C-N 120.075 1.307 . . . . 0.0 116.025 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.62 149.9 48.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.938 1.869 . . . . 0.0 113.276 -172.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -67.02 155.79 37.74 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -161.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -57.43 -26.95 61.94 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -168.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -59.53 -13.95 11.08 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -122.2 22.09 10.26 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.755 0.822 . . . . 0.0 111.966 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.24 -50.85 0.22 Allowed 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.07 69.17 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.397 -1.44 . . . . 0.0 113.065 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -54.53 -34.42 61.74 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 113.779 167.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.1 -55.34 4.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.05 0.94 . . . . 0.0 109.747 170.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.4 mtm -51.56 -34.76 38.2 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.7 m -64.3 -32.13 73.61 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.283 -0.886 . . . . 0.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -83.51 -9.91 58.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 m -30.48 -51.48 0.15 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 128.12 2.568 . . . . 0.0 116.761 -172.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m 58.61 -17.62 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 118.131 2.641 . . . . 0.0 118.131 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.6 p -143.18 -40.82 0.31 Allowed 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -165.38 127.66 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 119.957 1.253 . . . . 0.0 110.806 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 117.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 165.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.8 p -74.84 144.08 43.61 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.174 -0.954 . . . . 0.0 108.953 148.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 79.5 mt -145.19 169.17 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.573 2.349 . . . . 0.0 108.57 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -136.67 129.42 30.63 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.481 1.112 . . . . 0.0 108.157 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.2 m -142.8 165.11 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.865 0.866 . . . . 0.0 112.933 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.49 111.82 8.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.115 1.366 . . . . 0.0 112.05 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -56.6 109.6 0.65 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.941 0.896 . . . . 0.0 112.507 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -131.21 162.42 30.01 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.365 1.466 . . . . 0.0 109.75 165.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.84 -170.1 3.06 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 115.106 0.802 . . . . 0.0 115.106 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.22 -177.32 5.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.445 1.498 . . . . 0.0 110.105 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.23 -54.22 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 164.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 C--O 1.254 1.33 0 C-N-CA 128.754 2.821 . . . . 0.0 108.134 165.219 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' STF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -178.32 4.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pp -167.98 117.65 0.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -141.62 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.29 -57.06 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.906 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -173.22 123.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.25 143.01 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 82.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -163.95 158.61 16.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -74.93 128.45 11.55 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 176.15 -174.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 93' ' ' GLU . 18.7 tt -79.06 125.97 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.718 HG13 HG22 ' A' ' 94' ' ' VAL . 2.4 mm -114.16 149.3 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.62 ' CB ' HG22 ' A' ' 91' ' ' THR . 5.4 t -128.86 125.81 38.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.6 t -111.46 134.86 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -108.41 154.49 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.78 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -94.35 107.3 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -89.8 -57.6 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -75.22 -1.3 22.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.3 33.87 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.766 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -95.45 158.04 15.63 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -29.24 -61.9 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.518 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 162.92 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.519 0.776 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.09 49.27 22.39 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.838 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -113.18 159.11 19.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.4 m -145.37 108.86 4.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.888 HD11 ' NE2' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -131.59 175.2 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 29' ' ' ALA . 75.2 t -149.87 167.76 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.549 ' N ' HG12 ' A' ' 28' ' ' VAL . . . -150.76 116.76 5.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -163.83 158.6 20.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 135.55 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.398 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.02 -44.63 1.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.64 109.97 15.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.89 -78.5 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' C ' ' N ' ' A' ' 37' ' ' LYS . 3.9 tp60 -87.89 90.8 8.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.65 -30.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -100.14 65.62 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 75' ' ' SER . 0.3 OUTLIER 68.62 105.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.21 140.75 11.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.932 HG21 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -94.85 150.54 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.382 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.577 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -145.33 164.81 30.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.94 118.8 59.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.2 ttmt -74.09 -48.46 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 3.1 p 156.69 173.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.838 HG12 ' CD2' ' A' ' 25' ' ' LEU . 19.3 m -89.56 128.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -39.49 -31.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 8.8 tptt 86.51 27.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.369 1.043 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -162.43 45.6 0.35 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.67 164.09 27.12 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.78 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -63.13 -58.72 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -68.91 -15.32 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -71.41 -51.78 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -80.21 -49.5 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 31.7 t70 -60.98 -50.57 72.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -63.39 -54.75 29.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 55.91 45.02 24.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.257 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.549 HD12 HD11 ' A' ' 25' ' ' LEU . 66.1 mt -69.41 148.39 49.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.37 161.16 22.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 44' ' ' SER . . . -91.15 119.26 31.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 109.05 43.66 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -103.81 120.77 41.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 4.6 tt0 -74.0 109.68 7.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.932 HD23 HG21 ' A' ' 40' ' ' ILE . 3.9 tp -94.76 155.91 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -147.72 -37.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.09 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.513 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 1.4 p -105.83 149.43 26.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.029 HG21 ' HB1' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -122.66 154.58 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.49 ' CA ' ' O ' ' A' ' 91' ' ' THR . 28.1 t0 -69.98 109.56 4.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 120.41 -23.54 7.99 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -151.11 125.33 9.35 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.617 0.834 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.743 ' O ' HG13 ' A' ' 72' ' ' VAL . 19.3 m -75.49 76.17 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.918 HD13 ' HB ' ' A' ' 66' ' ' VAL . 8.5 mp -54.71 -56.05 23.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.01 -6.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.426 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 148.15 55.9 0.02 OUTLIER Glycine 0 CA--C 1.527 0.841 0 O-C-N 124.554 1.159 . . . . 0.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.693 ' CB ' HD23 ' A' ' 71' ' ' LEU . 12.5 mt -118.77 174.52 6.23 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 124.371 0.689 . . . . 0.0 109.198 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.578 ' HA ' HD11 ' A' ' 38' ' ' LEU . 1.3 m -72.46 160.24 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.888 ' NE2' HD11 ' A' ' 27' ' ' ILE . 6.0 mm100 -84.71 -16.38 41.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -39.04 -63.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -49.87 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.029 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -48.75 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -22.48 -67.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -41.29 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -56.21 -16.86 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.991 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.7 -3.65 35.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.459 1.1 . . . . 0.0 111.056 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.613 ' N ' ' O ' ' A' ' 80' ' ' ALA . 85.6 m -87.07 -57.72 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.375 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -67.37 59.41 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.372 1.045 . . . . 0.0 110.158 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 89' ' ' VAL . 1.4 m -87.45 -56.89 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 1.051 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.555 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 26.32 74.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.929 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 153.71 -65.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.916 ' O ' HG23 ' A' ' 86' ' ' THR . 4.4 p -157.73 136.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.11 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.909 HG22 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -117.68 99.53 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.799 ' C ' HD23 ' A' ' 92' ' ' LEU . 1.0 OUTLIER -93.18 107.82 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.887 HD22 ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.22 152.41 51.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 63' ' ' LEU . 17.1 tt0 -99.35 127.48 45.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.232 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.718 HG22 HG13 ' A' ' 13' ' ' ILE . 5.4 m -126.43 167.74 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . -138.86 126.41 21.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -47.19 150.49 0.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' A' ' 96' ' ' LYS . 1.2 mt-30 166.84 152.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 50.38 -142.32 15.01 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.551 1.157 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.27 -176.63 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.6 mt -48.41 -74.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 170.76 19.7 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.513 1.796 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -153.12 -179.15 7.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.95 119.91 2.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.102 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -105.21 -79.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.56 -164.53 1.84 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -69.3 178.04 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.465 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 132.93 2.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -176.93 157.3 1.36 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' HB3' ' HA ' ' A' ' 95' ' ' ALA . 18.5 Cg_endo -74.94 127.32 10.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.537 1.809 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -178.62 -149.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.02 118.93 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.809 HG21 ' CD2' ' A' ' 57' ' ' LEU . 14.1 mm -108.48 156.86 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.799 ' HB ' HG22 ' A' ' 91' ' ' THR . 1.7 t -136.73 139.08 41.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.041 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -127.29 108.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.629 1.206 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.443 ' N ' HG23 ' A' ' 89' ' ' VAL . 18.9 m -88.26 153.34 21.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -87.89 92.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -76.86 -62.22 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -82.62 -3.55 56.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.652 ' HA ' HD13 ' A' ' 17' ' ' LEU . 27.5 mt-30 52.19 41.52 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.822 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.6 t-20 -91.35 36.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 80.91 -58.11 4.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.557 1.16 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.694 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.41 -76.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' C ' ' OD1' ' A' ' 52' ' ' ASP . . . 99.65 -8.61 60.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.391 1.057 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.557 HD22 HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -63.36 155.11 29.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.743 . . . . 0.0 109.329 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -143.81 106.36 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.374 1.046 . . . . 0.0 109.972 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.649 HD12 HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -126.26 167.57 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 56.0 t -150.83 161.7 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -132.91 146.84 52.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.89 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -113.61 144.18 43.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -150.24 109.91 4.05 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.93 -58.89 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LYS . . . -74.43 138.66 43.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.465 0.744 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.71 -65.3 2.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.1 tt0 -121.17 91.0 3.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -38.03 -31.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -95.7 104.12 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 30' ' ' ALA . 9.8 tp -39.43 142.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.48 137.49 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.957 HG21 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -102.88 147.72 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.243 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 68.6 m-85 -148.22 158.33 44.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 73.9 t -97.04 123.95 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.586 ' O ' ' HB1' ' A' ' 59' ' ' ALA . 5.1 tttm -74.01 -63.51 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 34.9 p 177.44 176.21 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.557 HG12 HD22 ' A' ' 25' ' ' LEU . 12.6 m -101.38 127.56 54.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 2.4 t -41.2 -28.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . 9.3 tptt 74.22 32.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.33 28.33 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -120.34 177.95 16.42 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.822 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -69.09 -66.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 0.762 . . . . 0.0 109.208 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.041 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -71.87 -4.47 28.24 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' N ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -79.8 -51.73 8.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.073 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 49' ' ' GLY . 17.4 t -80.35 -32.77 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -79.79 -56.2 4.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.36 -56.98 16.87 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.94 43.37 30.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.809 ' CD2' HG21 ' A' ' 13' ' ' ILE . 10.1 mt -71.27 169.91 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.81 148.97 23.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -92.64 116.1 28.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 115.79 22.09 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 8.5 m-20 -74.77 170.8 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HG2' HD21 ' A' ' 64' ' ' LEU . 12.4 tt0 -120.67 109.17 14.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 110.248 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.957 HD23 HG21 ' A' ' 40' ' ' ILE . 2.3 tp -85.34 155.54 21.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.884 HD22 ' O ' ' A' ' 63' ' ' LEU . 4.0 mm? -140.57 -43.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.631 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.21 168.1 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.944 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.766 HG21 ' HB1' ' A' ' 79' ' ' ALA . 7.2 p -126.76 167.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.526 ' CA ' ' O ' ' A' ' 91' ' ' THR . 48.0 t0 -70.19 131.13 43.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.32 -12.42 45.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.492 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 19.3 mtp85 -150.47 111.01 4.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.791 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.671 ' O ' HG13 ' A' ' 72' ' ' VAL . 71.3 m -81.13 85.93 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.951 ' O ' HG22 ' A' ' 72' ' ' VAL . 2.2 mt -57.39 -53.07 62.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.687 1.242 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.14 -5.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 144.76 47.25 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 40' ' ' ILE . 17.2 mt -108.49 173.2 6.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 0.799 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.57 149.66 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.085 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 2.7 pm0 -65.47 -12.44 52.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.41 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -46.21 -66.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.766 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.13 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.66 -84.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' A' ' 83' ' ' MET . 16.4 tt0 -45.81 -65.75 0.5 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.538 1.149 . . . . 0.0 110.196 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.627 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -71.15 11.34 0.43 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.751 ' SD ' HG23 ' A' ' 66' ' ' VAL . 48.1 ttp -117.82 -18.83 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.9 m -87.96 -53.34 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.97 59.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.775 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.87 -56.87 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.0 m 66.28 -59.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.155 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' THR . 3.5 m -73.13 -81.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.918 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 86' ' ' THR . 13.1 p -144.92 155.16 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -115.05 92.23 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.799 HG22 ' HB ' ' A' ' 14' ' ' THR . 5.7 p -94.27 109.02 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.432 1.082 . . . . 0.0 110.352 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.671 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -129.48 157.08 42.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -93.94 110.17 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.422 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.567 ' CG2' ' CG1' ' A' ' 13' ' ' ILE . 16.5 m -117.09 164.0 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 10' ' ' PRO . . . -140.94 127.36 19.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.11 92.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.74 113.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.92 171.1 12.06 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -174.97 143.02 0.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.607 0.828 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.574 HD13 ' H ' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -127.61 175.36 9.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.455 1.097 . . . . 0.0 109.433 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.323 -0.585 0 O-C-N 124.52 1.137 . . . . 0.0 110.944 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.33 10.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.93 157.86 39.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.48 -101.98 0.5 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.23 89.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 53.41 -178.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.6 175.4 8.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.25 -156.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.496 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 1.5 mt-10 176.03 -57.11 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.597 1.186 . . . . 0.0 110.192 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 9' ' ' GLU . 18.6 Cg_endo -74.95 128.38 11.48 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.504 1.791 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -125.43 122.07 35.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.1 tt -89.35 113.63 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.526 HD12 ' CG2' ' A' ' 94' ' ' VAL . 2.5 mt -112.41 149.3 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.805 ' CB ' HG22 ' A' ' 91' ' ' THR . 59.6 p -123.54 110.8 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.62 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -96.16 114.9 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.63 ' HA ' HG23 ' A' ' 89' ' ' VAL . 25.7 m -93.47 161.8 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.807 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -97.36 105.66 17.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.55 -56.28 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -75.54 -2.4 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.378 1.049 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 55.52 34.61 23.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.358 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.807 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -98.44 159.11 15.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -28.21 -61.95 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.58 -56.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 111.037 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 69.83 57.35 7.21 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.428 1.08 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.623 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -121.19 162.12 20.7 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.412 0.713 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t -145.69 115.42 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.651 HD13 ' HE3' ' A' ' 83' ' ' MET . 0.0 OUTLIER -133.15 170.71 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 p -152.7 150.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.799 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -124.72 145.77 49.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.547 ' O ' HD13 ' A' ' 38' ' ' LEU . . . -117.96 145.73 44.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.76 142.97 28.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.55 -162.29 19.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.35 169.77 18.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.28 -68.47 2.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.587 1.179 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -133.45 62.05 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.297 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 165.65 138.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -118.96 -87.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 75' ' ' SER . 0.2 OUTLIER -142.44 123.41 14.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.213 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.19 113.67 1.21 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.932 HG21 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -101.57 148.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 61.8 m-85 -150.2 165.54 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.9 t -104.02 121.54 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.2 OUTLIER -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.389 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.9 p 157.05 174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.623 HG12 ' CD2' ' A' ' 25' ' ' LEU . 21.1 m -92.43 127.4 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.504 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 18.2 t -41.45 -33.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 2.9 tptt 86.84 22.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.9 49.06 0.43 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -145.81 166.74 27.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.807 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -63.56 -56.27 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.62 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -68.48 -24.23 64.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.397 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -61.76 -52.67 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -80.98 -56.34 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.412 1.07 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -56.68 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.47 -57.2 10.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 55.42 45.13 25.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 110.188 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.5 mt -69.75 159.52 33.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.96 146.32 28.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.558 1.161 . . . . 0.0 109.201 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.82 114.82 26.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.0 18.25 4.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 32.8 m-20 -73.93 171.32 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 51.6 tt0 -120.92 107.42 12.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.932 HD23 HG21 ' A' ' 40' ' ' ILE . 2.0 tp -86.78 154.16 21.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -143.85 -42.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -116.08 167.17 11.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.84 HG23 ' SD ' ' A' ' 83' ' ' MET . 10.9 p -129.15 165.71 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.424 1.077 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.539 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.1 p-10 -71.13 127.35 32.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.488 ' HA3' ' CZ ' ' A' ' 69' ' ' ARG . . . 88.69 -16.21 54.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.77 ' NH1' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -145.4 117.42 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.624 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.5 m -85.06 82.46 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.626 1.204 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.974 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.7 mt -58.47 -53.52 57.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.974 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.18 -6.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.408 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 144.44 55.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.617 1.198 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.677 ' O ' HD11 ' A' ' 40' ' ' ILE . 24.5 mt -116.95 173.81 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.62 ' HA ' HD11 ' A' ' 38' ' ' LEU . 8.8 m -71.73 147.39 47.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.799 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -66.25 -9.98 37.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.631 1.207 . . . . 0.0 110.354 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' N ' HE21 ' A' ' 76' ' ' GLN . 50.0 mt-10 -43.36 -76.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -50.52 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.783 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.96 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.7 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -0.41 -85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.6 tt0 -42.88 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.77 HD12 ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -71.36 12.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.84 ' SD ' HG23 ' A' ' 66' ' ' VAL . 59.6 ttp -120.76 -14.32 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.075 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 80' ' ' ALA . 2.2 m -91.23 -52.32 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -67.77 53.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.213 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.834 ' OG1' HG13 ' A' ' 90' ' ' VAL . 1.8 m -89.62 -55.46 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.455 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.575 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.8 OUTLIER 31.46 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.7 m 152.81 -51.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.052 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.63 HG23 ' HA ' ' A' ' 16' ' ' THR . 0.3 OUTLIER -177.24 122.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.834 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -113.77 101.48 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.824 ' C ' HD23 ' A' ' 92' ' ' LEU . 20.1 p -95.95 112.72 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.439 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.824 HD23 ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.13 153.76 44.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' CB ' ' OG ' ' A' ' 65' ' ' SER . 4.6 tt0 -96.49 107.7 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.526 ' CG2' HD12 ' A' ' 13' ' ' ILE . 26.2 m -113.36 163.7 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -138.74 133.09 31.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.415 1.072 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 136.65 47.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -159.35 -67.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.63 114.25 3.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -170.16 168.95 8.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 0.735 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 tt -170.82 158.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.419 1.074 . . . . 0.0 109.199 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 161.05 39.65 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER -148.94 127.48 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 3' ' ' LEU . . . -128.24 145.6 16.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.665 1.228 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 179.25 162.22 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.968 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp 71.71 150.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.95 126.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 110.315 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -146.06 156.22 43.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.391 1.057 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER 166.95 174.3 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.868 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.02 130.92 13.7 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -147.1 168.21 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 12' ' ' ILE . 7.5 tt -90.36 108.95 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.756 HG12 HG22 ' A' ' 94' ' ' VAL . 2.6 mm -94.26 151.25 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.415 ' HB ' HG22 ' A' ' 91' ' ' THR . 3.5 t -138.56 117.09 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.607 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -112.05 148.72 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.713 HG23 HG12 ' A' ' 89' ' ' VAL . 22.5 m -125.32 148.4 48.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -77.2 101.94 6.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.63 -50.89 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.54 -5.04 58.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.492 ' HA ' HD13 ' A' ' 17' ' ' LEU . 53.3 mt-30 54.0 40.07 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.813 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -91.52 36.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.137 . . . . 0.0 109.362 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 76.95 -53.28 3.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.408 1.067 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.696 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.65 -79.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.054 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 86.32 57.65 2.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' CD2' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -124.46 166.48 15.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -148.04 121.37 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.078 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.539 HD13 HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -139.19 174.91 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.215 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 40' ' ' ILE . 1.2 p -152.22 170.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' CB ' ' H ' ' A' ' 76' ' ' GLN . . . -142.89 146.29 33.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -122.24 150.91 41.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.639 1.212 . . . . 0.0 109.385 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 120.37 10.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.41 94.69 0.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 36' ' ' ASP . . . -144.72 163.52 33.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 0.0 109.235 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.71 50.75 4.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -176.71 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 0.773 . . . . 0.0 110.272 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -157.29 137.42 12.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' LEU . 17.8 mtmt -91.19 36.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 74' ' ' LEU . 1.5 mt 168.76 120.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.075 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -153.37 120.8 1.08 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.813 HG21 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -107.08 147.22 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 55.2 m-85 -149.62 165.3 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 15.5 t -104.24 124.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 ttmm -73.87 -43.13 59.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.581 1.175 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.8 t 152.19 175.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 25' ' ' LEU . 18.8 m -87.56 131.75 34.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 13.7 t -45.94 -25.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 77.4 101.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.53 12.6 11.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -95.16 174.62 32.72 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.813 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -74.01 -58.03 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 0.818 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -76.41 -9.17 58.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.712 ' OD2' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -80.0 -53.69 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.421 1.076 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.712 HG23 ' OD2' ' A' ' 52' ' ' ASP . 99.4 t -75.89 -33.64 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -78.72 -48.77 14.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.59 -49.68 35.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.4 1.062 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 55.45 45.44 25.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 0.769 . . . . 0.0 110.267 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.99 163.73 23.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.344 1.027 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.25 162.96 12.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 109.261 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 44' ' ' SER . . . -92.74 122.34 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.447 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.73 14.52 6.17 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.408 1.068 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -73.73 114.93 12.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.635 0.844 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 10.6 tt0 -74.17 110.11 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.361 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -88.8 153.59 20.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 71' ' ' LEU . 1.3 mt -143.62 -40.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.505 ' OG ' ' HA ' ' A' ' 70' ' ' SER . 4.3 m -119.64 168.9 10.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.088 HG22 HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -121.26 -175.24 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.443 1.09 . . . . 0.0 109.427 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 91' ' ' THR . 63.1 t0 -65.33 113.64 4.21 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.418 1.074 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.96 13.42 8.48 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -129.71 72.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.362 0.683 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 2.5 p -63.05 115.37 4.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.088 HD11 HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -104.11 -33.49 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.904 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 79.23 -6.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 64' ' ' LEU . . . 140.33 59.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.382 1.051 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 57.1 mt -108.42 172.81 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.756 . . . . 0.0 109.341 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 163.63 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.186 . . . . 0.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -69.01 -12.11 61.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.04 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -51.03 70.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -51.16 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -8.19 -77.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' A' ' 83' ' ' MET . 18.0 tt0 -39.95 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -71.64 12.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.853 ' SD ' HG13 ' A' ' 66' ' ' VAL . 20.2 ttp -119.21 -6.17 10.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.0 m -106.64 -49.5 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -64.13 60.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.387 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.786 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -84.23 -52.88 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.1 m 34.59 57.86 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 159.17 -68.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.713 HG12 HG23 ' A' ' 16' ' ' THR . 3.3 m -149.13 149.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.786 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -119.51 101.93 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.063 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -101.79 136.41 41.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.063 HD23 ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -162.67 154.6 18.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.3 tt0 -95.54 109.41 21.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.756 HG22 HG12 ' A' ' 13' ' ' ILE . 19.1 m -120.53 170.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.868 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -138.07 114.69 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -70.88 109.19 4.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 179.46 85.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.68 -164.51 35.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.53 -51.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.319 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -170.86 118.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -37.92 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 pp -90.52 124.77 35.28 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.392 1.057 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.52 107.27 0.67 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.97 117.36 30.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 110.009 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 6' ' ' LEU . 8.1 tp -174.18 -73.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? 46.41 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 86.33 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -53.16 -51.22 77.16 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.244 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.792 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.06 172.18 16.87 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -165.19 157.53 15.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -96.56 129.28 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.537 HG13 HG22 ' A' ' 94' ' ' VAL . 1.4 mt -119.28 150.09 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.594 1.184 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.77 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.0 p -127.42 115.99 19.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.388 1.055 . . . . 0.0 110.406 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.778 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.2 106.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -87.07 159.87 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -92.25 105.01 17.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -86.76 -52.84 5.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -95.44 -3.23 47.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.783 ' HA ' HD13 ' A' ' 17' ' ' LEU . 4.0 mt-30 52.2 41.04 30.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.863 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 57.3 t-20 -96.84 55.97 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 68.08 -72.72 0.29 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.955 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.37 -63.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 111.06 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 96.13 -14.07 65.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -57.9 152.35 16.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 m -144.85 108.94 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.904 HD12 HD22 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -126.97 170.22 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.408 1.067 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.41 156.62 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.307 1.004 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -125.8 136.84 53.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.53 87.41 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.18 140.15 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.36 94.04 0.02 OUTLIER Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.591 1.182 . . . . 0.0 110.97 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.13 118.25 6.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.552 0.795 . . . . 0.0 109.238 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.35 -80.06 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.415 1.072 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -128.68 56.9 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 64.73 114.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.054 . . . . 0.0 109.273 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.52 -178.49 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.94 HD21 ' HA ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER 177.31 94.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.379 1.05 . . . . 0.0 109.237 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -138.52 122.82 2.47 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.975 HG21 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -100.03 141.73 16.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 56.1 m-85 -147.62 163.28 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -100.62 123.19 53.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -75.13 -48.6 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.539 ' O ' ' CB ' ' A' ' 26' ' ' SER . 13.6 p 158.28 178.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 52' ' ' ASP . 19.1 t -100.19 144.02 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.646 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 25.6 t -58.87 -44.08 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 12.8 tptt 99.93 20.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.61 43.04 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -133.75 169.0 23.0 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.863 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -66.13 -63.55 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 0.755 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -70.01 -4.7 22.07 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.531 1.145 . . . . 0.0 109.394 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.567 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -78.04 -54.09 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 t -79.97 -30.78 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.61 -57.07 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -53.44 -59.92 8.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 55.59 44.15 27.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.597 ' CD1' HD11 ' A' ' 25' ' ' LEU . 5.5 mt -71.77 171.2 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.54 148.8 21.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.69 118.35 30.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.62 18.65 4.77 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 35.9 m-20 -74.7 170.7 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 38.4 tt0 -122.16 108.13 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.975 HD23 HG21 ' A' ' 40' ' ' ILE . 2.1 tp -86.18 153.78 21.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.83 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 1.2 mt -144.46 -39.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.87 165.44 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.84 HG21 ' HB1' ' A' ' 79' ' ' ALA . 7.1 p -129.46 166.4 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' CA ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -71.06 129.09 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.408 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.74 -12.31 59.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 13.6 mtp180 -149.26 113.46 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 0.808 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.81 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.9 m -82.0 78.03 8.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.833 HD22 ' HB2' ' A' ' 74' ' ' LEU . 3.7 mt -52.21 -58.02 7.91 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 70' ' ' SER . 4.0 t 84.34 -9.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.466 ' C ' HD23 ' A' ' 74' ' ' LEU . . . 150.18 46.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.94 ' HA ' HD21 ' A' ' 38' ' ' LEU . 10.7 mt -107.45 172.22 6.95 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.54 0.788 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.43 146.95 44.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.417 1.073 . . . . 0.0 109.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -64.18 -10.27 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -42.57 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.84 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -45.71 -85.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.698 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 0.49 -85.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.2 tt0 -43.94 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.26 12.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.76 ' SD ' HG23 ' A' ' 66' ' ' VAL . 50.0 ttp -119.75 -17.7 8.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.5 m -89.44 -55.41 3.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -66.1 60.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.81 ' CB ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -84.67 -57.55 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.463 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 86' ' ' THR . 0.5 OUTLIER 66.01 -58.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.011 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 86' ' ' THR . 5.4 m -71.06 -80.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 86' ' ' THR . 5.6 p -146.64 152.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.955 HG11 ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -115.61 94.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.77 HG22 ' CB ' ' A' ' 14' ' ' THR . 6.9 p -97.54 109.51 22.25 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.407 1.067 . . . . 0.0 110.467 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.723 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -130.31 159.42 37.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.203 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -97.55 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 13' ' ' ILE . 5.4 m -117.51 158.87 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -127.78 122.84 33.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.4 147.44 31.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.607 1.192 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -166.15 -66.58 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.572 1.17 . . . . 0.0 110.39 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.5 119.16 4.57 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.411 1.069 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.22 -177.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 0.709 . . . . 0.0 109.327 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.7 179.4 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 75.55 3.68 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.57 151.34 19.76 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.53 95.55 0.17 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -125.23 170.82 10.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -123.09 100.35 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.29 167.32 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 110.34 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.25 127.48 7.02 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -171.5 171.78 2.24 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.357 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 130.59 13.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 173.05 -175.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.209 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.767 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -99.43 120.39 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.767 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -107.27 148.81 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 91' ' ' THR . 74.4 p -132.58 114.41 14.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 51' ' ' ALA . 3.4 t -113.04 125.12 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.755 ' OG1' HG23 ' A' ' 89' ' ' VAL . 88.7 m -102.2 138.56 38.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.895 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.94 106.51 0.83 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -91.3 -50.58 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.318 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -86.19 -7.22 58.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 52.22 40.58 29.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.48 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 10.5 t30 -93.19 52.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' HD11 ' A' ' 17' ' ' LEU . . . 67.63 -59.01 0.32 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 168.93 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.481 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 89.48 32.62 10.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.664 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.0 mt -108.81 152.25 25.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 0.706 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -137.98 108.22 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.062 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.6 170.42 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.0 t -151.42 157.82 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 76' ' ' GLN . . . -139.47 133.66 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -108.13 156.39 19.35 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -128.46 165.69 20.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -166.64 -153.17 7.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.537 1.148 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.75 119.92 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.395 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.98 -77.47 0.68 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.43 89.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.18 -56.82 0.71 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -165.22 92.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD23 ' N ' ' A' ' 39' ' ' GLY . 0.7 OUTLIER -144.41 121.93 11.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.68 ' N ' HD23 ' A' ' 38' ' ' LEU . . . 161.88 173.4 30.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.409 1.068 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 41' ' ' TYR . 4.6 mt -109.73 166.39 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 69.3 m-85 -160.98 162.79 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -106.72 117.94 53.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.94 -52.91 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.625 1.203 . . . . 0.0 109.374 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 169.04 173.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 25' ' ' LEU . 17.2 m -101.48 135.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -40.37 -32.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 86.99 7.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.255 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -153.38 37.37 0.74 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.458 1.099 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -120.36 175.55 15.98 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.895 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -70.75 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 0.812 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 15' ' ' VAL . . . -67.54 -20.6 65.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.54 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -66.62 -52.74 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.512 HG23 ' OD2' ' A' ' 52' ' ' ASP . 46.5 t -78.53 -58.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -52.84 -52.59 56.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.265 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -66.17 -53.68 28.32 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.579 1.175 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 55.42 44.78 26.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 13' ' ' ILE . 12.0 mt -70.59 155.98 40.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.6 151.77 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -96.02 114.13 25.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.73 28.33 2.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.0 m-20 -92.73 157.11 16.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 109.352 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' ALA . 8.5 tt0 -101.84 116.84 33.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.045 HD11 ' HB3' ' A' ' 92' ' ' LEU . 1.5 tp -101.64 158.11 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -147.64 -32.58 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.619 1.2 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -111.44 152.35 27.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.4 OUTLIER -126.26 163.96 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.13 124.76 24.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 82' ' ' LEU . . . 91.59 -14.19 64.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.156 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.544 ' HB2' HG12 ' A' ' 66' ' ' VAL . 4.5 mtt180 -147.6 104.4 3.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.351 0.677 . . . . 0.0 110.364 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.508 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 16.5 m -73.16 61.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.751 ' O ' HG12 ' A' ' 72' ' ' VAL . 10.7 mp -37.99 -65.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.633 1.208 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 87.97 -10.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.24 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 64' ' ' LEU . . . 157.04 51.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.646 1.216 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.668 ' CB ' HD23 ' A' ' 71' ' ' LEU . 12.1 mt -120.87 172.36 7.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 0.817 . . . . 0.0 109.384 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 158.04 36.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 16.2 pt20 -82.61 -15.22 52.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 78' ' ' ARG . 1.2 tt0 -40.19 -55.53 2.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.626 HH12 HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -84.82 -56.06 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.729 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -45.98 -65.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.619 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -32.25 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.64 1.213 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 84' ' ' THR . 19.0 tt0 -36.27 -72.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.895 HD13 ' O ' ' A' ' 82' ' ' LEU . 1.7 tm? -44.85 -28.0 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.933 ' SD ' HD21 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -87.22 -30.35 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -52.35 -52.59 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.181 . . . . 0.0 110.481 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -70.58 57.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -82.17 -52.12 7.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.393 1.058 . . . . 0.0 110.425 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 5.02 74.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.3 m 156.45 -47.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.755 HG23 ' OG1' ' A' ' 16' ' ' THR . 2.3 p -176.73 139.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.667 ' HB ' HG21 ' A' ' 86' ' ' THR . 1.4 p -131.27 146.66 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.927 ' C ' HD12 ' A' ' 92' ' ' LEU . 80.2 p -152.84 145.67 24.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.045 ' HB3' HD11 ' A' ' 63' ' ' LEU . 1.2 mp -151.45 164.97 35.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.631 1.207 . . . . 0.0 109.242 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 15.2 tt0 -109.95 113.46 26.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.519 HG12 HD12 ' A' ' 63' ' ' LEU . 9.7 m -104.5 162.52 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.175 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -150.76 144.54 25.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.206 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.04 139.98 37.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.56 102.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.319 1.012 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.34 -96.09 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.32 108.08 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.443 0.731 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.1 tt -172.36 165.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 152.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.67 156.7 25.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.26 156.07 15.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -178.13 -177.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt 57.99 169.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -149.24 120.04 7.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.477 1.111 . . . . 0.0 110.222 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -124.56 178.44 5.42 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -43.78 -54.4 10.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.5 Cg_endo -74.98 117.23 4.84 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.502 1.79 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 171.15 -163.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' C ' HD13 ' A' ' 13' ' ' ILE . 18.1 tt -85.05 111.38 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.723 ' CG1' HG22 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -99.9 142.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.802 ' CB ' HG22 ' A' ' 91' ' ' THR . 0.5 OUTLIER -119.18 111.07 17.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -106.73 115.71 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.756 ' OG1' HG23 ' A' ' 89' ' ' VAL . 10.6 m -100.76 151.33 21.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.582 1.176 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.864 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -77.9 119.53 21.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -99.16 -49.77 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -93.77 -3.83 51.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 17' ' ' LEU . 6.7 mt-30 54.89 40.6 32.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.365 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.837 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 34.0 t-20 -90.1 43.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.416 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 72.02 -56.45 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.615 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 165.0 -73.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.402 0.707 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 79.88 58.73 2.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.583 ' CD2' HG12 ' A' ' 45' ' ' VAL . 1.8 mt -124.28 159.77 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -144.51 109.18 4.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -131.41 171.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 p -151.44 159.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.824 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -139.22 127.83 23.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -102.17 153.85 19.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 168.92 17.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -38.08 118.23 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.64 121.13 14.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.585 0.815 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.74 -79.81 0.46 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.616 1.197 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 7.4 tt0 -114.69 -34.87 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 110.326 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' GLN . 1.4 m-20 155.22 129.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.351 1.032 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.74 70.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 30' ' ' ALA . 4.4 tp -108.92 134.82 51.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.06 148.79 5.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.063 HG21 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -106.59 145.29 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.583 ' CB ' HD11 ' A' ' 100' ' ' ILE . 55.6 m-85 -148.1 160.94 42.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 t -99.26 123.23 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' SER . 20.9 tptt -74.32 -51.32 15.55 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 168.11 173.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.959 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG12 ' CD2' ' A' ' 25' ' ' LEU . 17.0 m -97.18 135.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.38 1.05 . . . . 0.0 109.401 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.505 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.4 t -39.75 -33.07 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.338 1.024 . . . . 0.0 109.284 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 14.0 tptt 86.81 5.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -149.99 36.18 0.97 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -119.63 174.46 15.49 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.864 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -73.74 -54.97 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -73.99 -11.32 60.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.202 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -78.92 -52.9 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' GLY . 22.7 t -80.34 -32.72 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 30.7 t70 -80.14 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.46 -50.61 63.02 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 55.47 46.0 24.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 0.708 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.7 mt -68.79 155.79 39.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.376 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.98 143.68 28.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.9 118.46 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.95 16.9 5.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 12.4 m-20 -73.61 170.86 14.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 38.0 tt0 -123.18 109.13 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.339 1.025 . . . . 0.0 110.223 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.063 HD23 HG21 ' A' ' 40' ' ' ILE . 1.7 tp -87.33 156.91 19.41 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -144.5 -40.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.723 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.34 166.05 14.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.837 HG12 ' O ' ' A' ' 69' ' ' ARG . 9.3 p -128.15 169.82 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.273 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.519 ' CA ' ' O ' ' A' ' 91' ' ' THR . 60.7 t0 -70.21 135.14 48.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.23 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.32 8.23 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.837 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.2 mtt85 -153.44 85.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -69.5 91.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.978 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -71.12 -51.76 23.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.978 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 81.08 -6.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.379 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 145.52 55.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.642 ' O ' HD11 ' A' ' 40' ' ' ILE . 18.8 mt -120.27 173.02 7.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 152.7 41.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.21 -8.56 32.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 36.6 mt-10 -40.9 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -59.57 4.78 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.808 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -47.24 -85.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.719 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.4 -81.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.6 tt0 -42.96 -68.04 0.23 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.776 HD13 ' NE ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -73.98 13.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.71 ' SD ' HG23 ' A' ' 66' ' ' VAL . 50.5 ttp -118.55 -13.43 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.4 m -97.64 -56.9 2.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -67.64 56.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 110.386 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.875 ' CB ' HG13 ' A' ' 90' ' ' VAL . 31.6 m -87.13 -54.39 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' CB ' ' A' ' 88' ' ' SER . 2.2 m 32.42 82.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.585 ' CB ' ' O ' ' A' ' 87' ' ' SER . 2.1 t 151.26 -55.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.955 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.756 HG23 ' OG1' ' A' ' 16' ' ' THR . 5.3 p -174.5 120.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.875 HG13 ' CB ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -104.06 98.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.52 1.138 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' CB ' ' A' ' 14' ' ' THR . 3.3 p -95.19 109.85 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.514 HD23 ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -124.01 157.14 35.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 7.5 tm-20 -104.23 115.33 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.582 1.176 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.723 HG22 ' CG1' ' A' ' 13' ' ' ILE . 16.9 m -115.6 170.2 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 10' ' ' PRO . . . -150.34 147.99 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.373 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 137.06 10.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -178.53 149.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -132.96 116.89 1.84 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.598 1.187 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 176.78 178.97 0.22 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.493 0.761 . . . . 0.0 109.387 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.583 HD11 ' CB ' ' A' ' 41' ' ' TYR . 1.7 pt 41.17 85.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.377 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.59 7.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.354 1.712 . . . . 0.0 111.01 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.01 -66.81 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.64 104.8 1.01 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.45 175.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.037 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.74 -175.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -91.44 172.58 8.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 41.21 79.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -163.74 146.65 7.87 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.602 1.189 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -74.96 -170.35 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 1.8 tp10 82.4 -156.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.195 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 tt -85.6 117.5 30.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.067 HD11 HG22 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -118.08 150.63 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.437 ' CB ' HG23 ' A' ' 91' ' ' THR . 11.2 t -127.56 134.7 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.939 HG13 HG23 ' A' ' 90' ' ' VAL . 12.3 p -123.1 156.38 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.025 HG23 HG23 ' A' ' 89' ' ' VAL . 10.6 m -136.63 140.33 42.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -58.11 87.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -74.72 -60.41 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -6.4 57.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 17' ' ' LEU . 6.5 mt-30 52.83 41.26 31.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.299 0.999 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' MET . 20.8 t-20 -100.93 54.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 67.84 -60.02 0.35 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.472 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 0.0 OUTLIER 167.27 -70.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.636 0.845 . . . . 0.0 110.944 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' HA2' HG21 ' A' ' 46' ' ' VAL . . . 74.63 74.34 0.87 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 25' ' ' LEU . 13.4 mt -140.65 160.51 39.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.438 0.728 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.46 110.49 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.055 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.431 HG13 ' NE2' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -130.52 168.02 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -151.09 142.71 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.871 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -131.89 129.54 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.204 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -110.65 154.97 23.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.4 168.05 14.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.19 140.94 3.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.398 1.061 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.83 138.8 39.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 75.29 -73.07 1.61 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -55.05 89.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.6 m-20 -40.68 115.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.72 -43.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD12 ' H ' ' A' ' 39' ' ' GLY . 1.8 tp -41.42 149.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.486 1.116 . . . . 0.0 109.218 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.553 ' H ' HD12 ' A' ' 38' ' ' LEU . . . 139.38 158.05 7.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.033 HG21 HD23 ' A' ' 63' ' ' LEU . 1.7 mt -101.91 164.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.525 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 54.3 m-85 -157.97 172.86 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLY . 55.4 t -112.32 118.05 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -74.96 -45.46 42.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.1 p 159.96 172.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 5.7 m -95.92 144.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.6 t -50.14 -30.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 18.4 tptt 87.55 8.8 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.498 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -157.34 38.28 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -126.87 176.08 17.8 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.11 -71.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.803 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -56.16 -34.6 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.93 -54.64 27.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.483 HG23 ' OD2' ' A' ' 52' ' ' ASP . 62.2 t -80.83 -70.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.624 1.203 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -45.93 -61.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -55.45 -56.58 22.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.65 44.19 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.51 154.38 41.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.232 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.81 151.29 34.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.21 114.81 27.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 122.99 9.12 6.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.436 1.085 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -74.77 168.41 19.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.525 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 4.0 tt0 -114.05 110.71 20.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.033 HD23 HG21 ' A' ' 40' ' ' ILE . 4.6 tp -91.83 158.66 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.22 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -148.76 -30.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.916 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -114.66 145.86 41.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.95 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -120.32 159.02 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' HB2' ' CB ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -70.94 113.29 7.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 109.203 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.45 -15.57 27.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 71' ' ' LEU . 1.8 mtp85 -151.21 112.29 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.235 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.978 ' O ' HG23 ' A' ' 72' ' ' VAL . 50.3 m -71.05 59.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 79' ' ' ALA . 9.9 mp -37.81 -65.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 70' ' ' SER . 38.4 t 71.8 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.392 1.057 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.523 ' HA2' ' CD1' ' A' ' 64' ' ' LEU . . . 167.49 51.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 9.7 mt -130.57 169.89 14.99 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 0.787 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.81 162.46 22.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.1 pt20 -82.84 -10.93 58.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.06 -61.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.502 HH12 HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -82.42 -48.41 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.321 1.013 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.847 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -51.2 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 84' ' ' THR . . . -27.01 -63.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.98 -69.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -59.18 -11.96 4.56 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.95 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.62 -11.46 22.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 80' ' ' ALA . 32.0 m -83.03 -56.01 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -67.61 58.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 89' ' ' VAL . 1.2 m -86.74 -56.21 3.51 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 26.81 71.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 156.94 -66.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.025 HG23 HG23 ' A' ' 16' ' ' THR . 0.3 OUTLIER -154.57 137.83 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.939 HG23 HG13 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -120.48 162.77 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.496 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -151.12 136.35 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' A' ' 63' ' ' LEU . 5.1 mp -150.62 135.73 17.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.4 tt0 -102.8 108.6 19.89 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.067 HG22 HD11 ' A' ' 13' ' ' ILE . 2.9 m -100.32 166.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 62' ' ' GLN . . . -151.47 160.37 43.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.03 125.44 31.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.54 -53.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.191 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.73 -166.33 19.56 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.598 1.186 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 100' ' ' ILE . . . -164.92 117.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 99' ' ' ALA . 8.9 pt 49.36 -166.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 41.8 p90 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.052 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 141.32 26.47 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.58 112.22 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.64 1.213 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.4 -145.3 6.96 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.145 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -126.07 128.9 48.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 0.713 . . . . 0.0 110.064 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -47.0 131.85 12.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 175.02 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.231 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.75 91.78 5.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER 168.23 174.17 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.377 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 9' ' ' GLU . 18.2 Cg_endo -75.05 162.1 37.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.59 1.837 . . . . 0.0 111.048 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -145.43 135.48 23.77 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.693 1.245 . . . . 0.0 110.378 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -90.57 113.67 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 94' ' ' VAL . 4.1 mm -110.57 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.716 ' CB ' HG22 ' A' ' 91' ' ' THR . 1.5 t -134.18 131.53 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.474 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -120.89 108.23 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.2 m -92.08 146.77 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.937 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -74.59 104.83 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.62 -52.25 5.94 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -97.88 -3.86 37.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.325 1.015 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.831 ' HA ' HD13 ' A' ' 17' ' ' LEU . 37.7 mt-30 52.28 41.94 30.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.851 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 58.6 t-20 -90.64 38.4 0.94 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.587 1.179 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 88.16 -72.2 2.43 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.425 1.078 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.514 ' HE3' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER 170.68 -73.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.789 ' O ' HG13 ' A' ' 45' ' ' VAL . . . 84.27 58.95 2.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.39 1.057 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.969 HD23 HG22 ' A' ' 45' ' ' VAL . 21.1 mt -130.5 154.73 47.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 109.367 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -144.61 116.17 8.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.052 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.969 HD12 HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -138.82 172.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.223 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 29' ' ' ALA . 74.7 t -152.66 166.28 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.736 ' HB3' ' HG3' ' A' ' 76' ' ' GLN . . . -138.72 131.5 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -155.72 -100.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HA ' ' N ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -145.3 166.1 26.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' O ' ' OH ' ' A' ' 41' ' ' TYR . . . 114.34 30.84 2.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.619 ' HB2' HE21 ' A' ' 62' ' ' GLN . . . -150.69 165.64 32.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.747 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.49 -84.03 0.14 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.563 1.164 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -120.37 -35.61 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 110.366 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.61 -33.84 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -105.95 144.79 32.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 77.77 91.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.568 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . -146.29 127.04 2.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.638 1.212 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.047 HG21 HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -101.98 150.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 58.2 m-85 -150.67 161.8 41.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -102.93 123.19 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' SER . 4.9 tppt? -74.56 -51.55 14.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.3 p 160.79 176.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.969 HG22 HD23 ' A' ' 25' ' ' LEU . 11.2 t -90.42 150.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 14.0 t -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 45' ' ' VAL . 6.0 tptt 94.36 31.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 109.351 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -167.87 48.43 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' CA ' ' HB3' ' A' ' 52' ' ' ASP . . . -142.41 168.22 25.89 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.937 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.82 -60.45 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -71.7 -5.68 35.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.383 1.052 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.725 ' OD1' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -76.77 -54.1 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 t -81.3 -32.3 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.6 -60.55 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -49.78 -57.02 10.2 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.574 1.171 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 55.18 44.64 27.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 0.79 . . . . 0.0 110.222 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.33 157.27 38.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.03 15.05 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.49 117.59 34.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.99 16.29 5.85 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.427 1.079 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -74.77 116.63 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 0.818 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.619 HE21 ' HB2' ' A' ' 33' ' ' ALA . 25.0 tt0 -73.32 112.02 8.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.047 HD23 HG21 ' A' ' 40' ' ' ILE . 1.7 tp -92.25 154.89 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.41 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -147.45 -37.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -111.25 155.19 23.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.844 HG21 ' HB1' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -125.3 161.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.494 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.1 t0 -70.64 123.71 22.52 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.19 72.75 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.9 mtt180 -150.38 118.41 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.8 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.735 ' O ' HG13 ' A' ' 72' ' ' VAL . 24.3 p -82.04 77.27 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.95 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.848 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.9 mp -55.67 -51.52 66.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.371 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER 75.57 -6.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 71' ' ' LEU . . . 144.65 55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.799 ' CB ' HD23 ' A' ' 71' ' ' LEU . 14.5 mt -116.82 173.71 6.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 0.805 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.476 ' N ' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -73.0 155.64 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.736 ' HG3' ' HB3' ' A' ' 29' ' ' ALA . 3.3 pp0? -72.68 -6.21 42.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -44.31 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.395 1.06 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -51.08 60.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.201 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.844 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -49.13 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.365 1.04 . . . . 0.0 109.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -10.67 -75.34 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.393 1.058 . . . . 0.0 109.42 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 83' ' ' MET . 4.5 tm-20 -43.3 -67.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.04 11.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.692 1.245 . . . . 0.0 109.304 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.803 ' SD ' HG23 ' A' ' 66' ' ' VAL . 45.6 ttp -118.6 -10.0 10.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.2 m -100.21 -47.28 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 ttp-105 -66.53 59.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.912 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.41 -53.68 5.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.466 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 30.99 47.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.937 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 86' ' ' THR . 2.3 m 175.13 -67.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 86' ' ' THR . 12.3 p -152.91 155.34 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.912 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.75 92.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.216 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.716 HG22 ' CB ' ' A' ' 14' ' ' THR . 1.7 p -93.96 110.56 22.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.438 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.685 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -135.4 158.75 43.59 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.565 ' OE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -100.11 111.46 23.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 13' ' ' ILE . 26.6 m -112.78 169.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . -138.79 119.87 14.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.11 173.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 78.11 132.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.86 -67.06 0.33 Allowed Glycine 0 CA--C 1.528 0.902 0 O-C-N 124.665 1.228 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 59.84 110.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 0.719 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.9 tp -167.53 131.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.224 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.645 ' C ' HD12 ' A' ' 3' ' ' LEU . 18.4 Cg_endo -75.11 -179.39 4.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.645 HD12 ' C ' ' A' ' 2' ' ' PRO . 6.0 mp -135.62 -63.12 0.68 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.93 179.53 0.38 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.516 1.135 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 p -140.09 170.83 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.797 . . . . 0.0 109.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.46 97.0 6.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.603 1.189 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.82 -175.28 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 141.4 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.373 1.046 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -178.84 161.59 1.06 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.741 ' O ' HD11 ' A' ' 13' ' ' ILE . 18.2 Cg_endo -75.05 -170.44 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.437 1.756 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 3.3 tt0 82.96 -157.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.765 ' O ' HD13 ' A' ' 13' ' ' ILE . 9.4 tt -75.74 115.7 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.765 HD13 ' O ' ' A' ' 12' ' ' ILE . 1.9 mm -124.73 148.65 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.749 HG22 ' CG2' ' A' ' 91' ' ' THR . 39.8 p -120.3 123.53 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.599 1.187 . . . . 0.0 110.384 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG11 ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -110.42 129.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.352 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.701 ' OG1' HG23 ' A' ' 89' ' ' VAL . 21.0 m -120.97 131.05 54.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -53.01 112.79 0.92 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.07 -47.59 5.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -94.3 -2.97 51.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 53.01 39.27 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.239 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.701 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 53.4 t-20 -92.56 49.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 68.5 -59.66 0.46 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.453 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 166.91 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 72.36 74.68 0.75 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.588 ' CD2' HG12 ' A' ' 45' ' ' VAL . 3.9 mt -139.9 165.89 26.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 0.817 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.9 t -147.13 115.18 6.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.38 1.05 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' HE1' ' A' ' 83' ' ' MET . 0.6 OUTLIER -133.23 172.34 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -150.55 142.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.75 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -129.1 125.64 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -96.62 135.45 38.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -151.22 123.87 8.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . 36.19 45.92 0.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.062 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.33 167.17 18.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 0.792 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.25 53.58 4.44 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 21.3 tp60 -154.77 89.46 1.24 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.428 0.722 . . . . 0.0 110.343 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 35' ' ' GLN . 1.8 t0 80.02 -158.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -125.12 43.18 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 39' ' ' GLY . 1.9 tt 82.48 133.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.772 ' N ' HD23 ' A' ' 38' ' ' LEU . . . 156.94 156.22 7.79 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.398 1.061 . . . . 0.0 111.079 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.781 HG21 HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -105.08 156.47 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.627 0.839 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 59.7 m-85 -154.65 166.74 32.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.86 120.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 44' ' ' SER . 5.9 tppt? -75.47 -45.58 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.2 p 158.39 173.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.588 HG12 ' CD2' ' A' ' 25' ' ' LEU . 5.0 m -89.7 143.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.49 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 2.7 t -52.7 -23.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.365 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER 78.45 15.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -159.07 40.03 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -133.7 173.68 21.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.886 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.05 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.483 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -57.53 -29.29 64.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -57.34 -53.97 52.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG23 ' OD2' ' A' ' 52' ' ' ASP . 47.7 t -80.75 -64.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -49.76 -61.27 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -54.15 37.38 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 55.53 44.48 26.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.39 152.39 44.14 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.379 1.049 . . . . 0.0 109.328 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . . . -82.85 164.68 20.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.07 120.72 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.02 19.54 5.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.406 1.066 . . . . 0.0 111.052 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -82.63 118.4 23.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.51 ' OE1' ' HB3' ' A' ' 95' ' ' ALA . 6.0 tt0 -74.31 112.51 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.781 HD23 HG21 ' A' ' 40' ' ' ILE . 2.9 tp -94.58 154.81 17.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -146.33 -34.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.516 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -113.21 157.01 22.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.089 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.948 HG23 HD13 ' A' ' 71' ' ' LEU . 5.0 t -125.01 173.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.604 ' H ' HG12 ' A' ' 66' ' ' VAL . 45.0 t0 -62.15 136.1 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 46.03 18.9 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' O ' HD12 ' A' ' 71' ' ' LEU . 12.1 mtp180 -151.26 77.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.408 0.711 . . . . 0.0 110.233 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 65' ' ' SER . 41.9 m -63.29 77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.948 HD13 HG23 ' A' ' 66' ' ' VAL . 8.9 mp -54.31 -52.01 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 85.59 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.478 ' CA ' ' HB3' ' A' ' 64' ' ' LEU . . . 144.77 54.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.708 ' CB ' HD23 ' A' ' 71' ' ' LEU . 14.4 mt -115.0 175.34 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.26 165.07 23.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.938 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.555 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -78.24 -15.6 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 76' ' ' GLN . 2.0 mm-40 -39.43 -71.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -40.21 96.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.878 ' HB2' HG21 ' A' ' 66' ' ' VAL . . . -56.02 -91.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.697 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.06 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' A' ' 83' ' ' MET . 26.9 tt0 -37.68 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 110.277 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -73.2 15.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.81 ' SD ' HG13 ' A' ' 66' ' ' VAL . 42.9 ttp -122.65 -4.77 8.69 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.455 1.097 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -107.18 -48.23 3.51 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -64.7 60.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.665 ' OG1' HG23 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.56 -54.36 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 30.29 52.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.0 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.8 m 164.81 -61.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.701 HG23 ' OG1' ' A' ' 16' ' ' THR . 13.1 p -158.61 140.46 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.665 HG23 ' OG1' ' A' ' 86' ' ' THR . 0.5 OUTLIER -129.6 112.41 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.749 ' CG2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER -95.46 163.68 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 110.445 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.742 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -168.17 139.57 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.403 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -105.16 107.18 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 62' ' ' GLN . 4.0 m -104.79 169.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 62' ' ' GLN . . . -151.82 143.99 23.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -70.3 117.55 12.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -147.46 -47.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.56 176.58 14.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.463 1.102 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.11 167.74 10.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.42 0.718 . . . . 0.0 109.268 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.04 134.53 59.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.219 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 117.5 4.91 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.37 1.721 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.654 ' C ' HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.85 158.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.195 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.28 92.45 1.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.88 169.27 11.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 0.794 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.5 172.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 68.65 166.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -61.35 -61.21 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 63.76 159.95 0.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HB3' ' HA ' ' A' ' 95' ' ' ALA . 18.5 Cg_endo -74.89 131.74 14.77 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 178.96 -164.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.564 ' C ' HD13 ' A' ' 13' ' ' ILE . 20.6 tt -92.12 129.34 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.671 HG12 HG22 ' A' ' 94' ' ' VAL . 1.6 mm -116.04 145.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.587 HG22 HG22 ' A' ' 91' ' ' THR . 72.1 p -122.54 118.18 27.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.71 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -110.33 109.18 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 m -94.59 153.85 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -83.3 102.29 11.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.394 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -85.76 -52.6 5.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.39 -5.97 53.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.5 mm100 54.08 40.17 31.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.626 1.204 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.829 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 55.4 m-20 -89.21 40.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 78.05 -60.39 3.85 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.158 . . . . 0.0 111.054 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.665 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.33 -70.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 110.966 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 78.91 47.36 7.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.769 ' CD2' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -116.67 161.26 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.377 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.2 t -144.32 117.19 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 110.071 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.516 HG12 ' CE ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -124.57 172.14 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 27' ' ' ILE . 47.6 t -153.63 148.64 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -129.33 137.95 51.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -115.56 160.89 19.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -147.93 110.23 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.71 88.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.29 125.02 11.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.12 -81.88 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -165.38 72.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.363 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.34 147.99 4.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.61 88.09 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 30' ' ' ALA . 2.4 tp 68.06 146.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.35 119.49 0.89 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD11 ' O ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -102.83 138.83 25.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.611 0.83 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.533 ' CE1' ' HG3' ' A' ' 62' ' ' GLN . 51.0 m-85 -145.72 156.56 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 9.6 t -89.89 123.52 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 44' ' ' SER . 4.0 tttp -72.96 -43.55 62.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.5 p 151.62 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.624 1.202 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG12 ' CD2' ' A' ' 25' ' ' LEU . 20.8 m -93.66 154.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 55.5 t -71.65 -5.11 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 2.9 pttt 53.37 30.93 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.96 30.94 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.593 1.183 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -125.53 174.85 17.52 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.851 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -74.27 -62.1 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 0.749 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.71 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -66.79 -10.16 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.605 1.19 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -81.14 -52.67 7.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.387 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 ' OD2' ' A' ' 52' ' ' ASP . 77.1 t -74.37 -36.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.5 -48.85 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.625 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -67.3 -45.49 79.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.834 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 46.91 41.36 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 0.802 . . . . 0.0 110.328 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD12 HD11 ' A' ' 25' ' ' LEU . 11.3 mt -70.22 150.52 46.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.2 162.14 17.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.397 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 44' ' ' SER . . . -90.22 123.95 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.55 9.34 8.54 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.471 1.107 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.5 m-20 -73.63 115.9 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HG3' ' CE1' ' A' ' 41' ' ' TYR . 10.8 tt0 -73.74 110.48 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.415 1.072 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.66 152.23 21.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -143.06 -35.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.84 160.62 19.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.569 1.168 . . . . 0.0 110.035 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.74 HG13 ' HB2' ' A' ' 69' ' ' ARG . 13.3 p -129.89 168.65 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' CA ' ' O ' ' A' ' 91' ' ' THR . 57.8 t0 -72.54 128.0 34.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.59 3.38 86.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.443 1.089 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.74 ' HB2' HG13 ' A' ' 66' ' ' VAL . 24.1 mtt-85 -152.25 122.45 7.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.76 ' O ' HG13 ' A' ' 72' ' ' VAL . 67.6 m -89.99 70.48 7.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 79' ' ' ALA . 77.7 mt -54.1 -56.9 13.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.902 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.31 -6.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.518 ' O ' HD23 ' A' ' 38' ' ' LEU . . . 142.85 52.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.927 ' HB2' HD22 ' A' ' 71' ' ' LEU . 46.3 mt -113.17 175.62 5.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.427 0.722 . . . . 0.0 109.289 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.84 153.38 41.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -65.98 -10.73 42.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.85 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.564 ' NH1' HD13 ' A' ' 74' ' ' LEU . 18.1 mtt180 -52.97 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' ' 71' ' ' LEU . . . -45.59 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.722 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 1.01 -83.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.4 tt0 -45.55 -64.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -72.31 11.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.689 ' SD ' HG23 ' A' ' 66' ' ' VAL . 12.2 ttp -117.95 -14.85 10.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.369 1.043 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.7 m -96.42 -51.49 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.368 1.042 . . . . 0.0 110.494 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -66.07 63.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.896 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.36 -53.3 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.4 OUTLIER 33.35 58.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.5 OUTLIER 163.54 -66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 86' ' ' THR . 7.7 p -155.6 156.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.896 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.4 89.9 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.587 HG22 HG22 ' A' ' 14' ' ' THR . 2.8 p -91.34 111.77 23.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.451 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.612 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -132.37 156.24 46.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -102.55 124.63 48.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.671 HG22 HG12 ' A' ' 13' ' ' ILE . 13.2 m -124.8 166.39 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.211 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 10' ' ' PRO . . . -147.88 128.6 14.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 117.2 4.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -139.21 -74.23 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.562 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . 130.06 131.43 3.33 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 124.559 1.162 . . . . 0.0 111.099 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 172.4 -171.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 0.733 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 tp -160.46 -48.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 -38.78 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.475 1.776 . . . . 0.0 110.941 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 64.05 113.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.617 1.198 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.36 144.14 3.85 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.334 1.021 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -86.51 145.49 26.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.606 0.827 . . . . 0.0 110.088 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -43.11 157.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.63 144.36 15.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -64.15 -61.02 2.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.064 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.02 165.2 0.14 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.871 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 17.9 Cg_endo -75.18 175.49 11.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.905 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.61 151.89 30.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 12' ' ' ILE . 1.0 OUTLIER -81.52 108.86 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.556 HG13 HG22 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -99.88 149.76 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.713 ' CB ' HG22 ' A' ' 91' ' ' THR . 67.1 p -136.68 141.6 43.13 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.362 1.039 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 90' ' ' VAL . 7.3 p -142.35 150.53 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.908 HG22 HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -115.56 154.31 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.385 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD11 ' C ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -75.46 82.62 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -70.6 -64.56 0.87 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.405 1.065 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -71.87 -6.83 44.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.83 40.47 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' CB ' ' HA2' ' A' ' 49' ' ' GLY . 27.3 m-20 -92.72 29.47 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.817 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 81.3 -49.31 3.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.523 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.28 -78.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 85.15 55.76 2.56 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.548 1.155 . . . . 0.0 111.074 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 25' ' ' LEU . 10.0 mt -126.43 150.04 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -133.63 119.33 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.12 164.5 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -151.07 136.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.701 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -124.41 136.27 53.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.633 1.208 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -105.72 146.65 29.51 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 123.31 8.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 41.92 49.82 5.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.408 1.068 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.89 170.54 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.33 57.67 3.28 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.86 87.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 0.733 . . . . 0.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' CG ' ' OH ' ' A' ' 41' ' ' TYR . 24.7 t70 66.52 171.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.3 61.82 3.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 39' ' ' GLY . 2.3 tt 66.01 129.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.798 ' N ' HD23 ' A' ' 38' ' ' LEU . . . 167.27 170.19 31.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.8 HD11 ' O ' ' A' ' 74' ' ' LEU . 5.7 mt -109.8 167.47 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.286 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 40' ' ' ILE . 65.0 m-85 -163.5 168.11 20.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 61' ' ' ASP . 25.4 t -107.45 120.21 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.396 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.0 tptt -73.96 -43.46 58.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.377 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.2 t 154.42 172.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -88.16 139.71 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.8 t -47.43 -31.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 17.7 tptt 90.32 3.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -152.04 43.81 0.66 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -131.2 176.07 19.24 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -65.24 -70.85 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 0.809 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.678 ' HA ' HG21 ' A' ' 15' ' ' VAL . . . -57.43 -34.28 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -51.77 -54.72 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.349 1.03 . . . . 0.0 109.204 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.07 -70.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.612 1.195 . . . . 0.0 109.239 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.57 -61.6 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 51' ' ' ALA . . . -56.0 -52.57 48.16 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 55.46 44.67 26.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.89 164.84 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.42 171.96 8.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.53 133.09 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.273 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.88 19.43 10.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -84.19 118.92 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 1.4 tt0 -73.88 121.7 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.998 HD11 ' HB2' ' A' ' 92' ' ' LEU . 1.9 tp -101.8 157.29 16.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.804 HD23 ' HA2' ' A' ' 73' ' ' GLY . 5.2 mt -140.14 -38.0 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.583 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -110.46 156.7 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 109.937 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.957 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -129.17 158.8 41.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.383 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -69.83 125.73 27.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.219 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 -15.71 62.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -150.6 114.43 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.785 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.5 p -81.39 74.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.955 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.31 -54.78 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.955 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.63 -5.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.804 ' HA2' HD23 ' A' ' 64' ' ' LEU . . . 153.23 53.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.531 1.145 . . . . 0.0 111.083 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.8 ' O ' HD11 ' A' ' 40' ' ' ILE . 6.2 mt -125.15 173.26 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.48 ' CB ' ' CD ' ' A' ' 77' ' ' GLU . 3.4 m -73.71 156.01 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.71 HE21 ' N ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -82.48 -11.24 58.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.71 ' N ' HE21 ' A' ' 76' ' ' GLN . 1.9 pt-20 -41.02 -57.58 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.14 -52.47 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.888 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -50.52 -72.45 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -28.54 -58.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 109.425 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -42.88 -67.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.208 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.76 -6.68 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.957 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -98.85 -14.6 19.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 80' ' ' ALA . 6.6 m -86.66 -50.83 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.442 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -67.79 59.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 110.258 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.769 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.6 OUTLIER -84.7 -55.52 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 31.52 53.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.964 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.95 -63.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.09 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.908 HG23 HG22 ' A' ' 16' ' ' THR . 0.5 OUTLIER -157.85 151.3 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.769 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -129.88 143.76 40.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.713 HG22 ' CB ' ' A' ' 14' ' ' THR . 35.7 p -151.06 129.41 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 110.387 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.998 ' HB2' HD11 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -155.61 151.64 27.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.388 1.055 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.692 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.6 tt0 -86.82 120.5 28.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 13' ' ' ILE . 5.2 m -114.86 171.41 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 109.221 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -144.43 109.82 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.86 159.96 29.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 177.53 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 110.27 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . 103.64 -178.98 25.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . 72.33 152.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -151.33 120.37 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.391 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.7 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.059 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 172.19 16.84 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.546 1.813 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.44 168.46 13.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.43 -173.15 32.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.03 133.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 0.824 . . . . 0.0 109.889 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER 61.35 119.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.49 79.68 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -95.85 -76.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.6 OUTLIER -40.96 -52.57 6.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 18.5 Cg_endo -75.08 108.96 2.84 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 173.1 -160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 12' ' ' ILE . 19.5 tt -92.61 111.38 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 94' ' ' VAL . 0.7 OUTLIER -102.17 145.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.615 1.197 . . . . 0.0 109.272 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.775 ' CB ' HG22 ' A' ' 91' ' ' THR . 21.3 p -119.61 112.84 19.82 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.611 1.195 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.835 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -105.79 109.23 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -95.18 146.07 24.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -75.76 107.06 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.36 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -47.59 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -91.38 -3.55 56.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 53.21 41.01 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.762 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.8 t-20 -91.83 34.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.558 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 76.43 -53.47 3.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.55 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.3 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 87.15 46.95 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.756 HD22 HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -115.36 164.02 14.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -146.36 110.84 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.928 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.033 HD11 ' CD ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -126.54 177.46 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.741 ' O ' HG22 ' A' ' 40' ' ' ILE . 4.2 p -153.17 161.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.402 1.064 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -142.32 120.15 11.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.234 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -99.87 165.54 11.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.227 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.01 170.41 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.464 ' N ' ' HB2' ' A' ' 38' ' ' LEU . . . 122.18 -113.97 2.37 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.471 1.107 . . . . 0.0 111.067 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.827 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . . . -102.79 145.94 29.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 0.763 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.494 ' O ' ' CG ' ' A' ' 35' ' ' GLN . . . -78.85 52.4 3.93 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 34' ' ' GLY . 0.7 OUTLIER 173.79 -33.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 110.334 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.827 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 20.6 m-20 -87.67 -72.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.612 1.195 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -104.42 -75.05 0.63 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -37.15 136.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.068 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 160.43 -169.86 36.31 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.14 140.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 0.0 109.35 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 28.8 m-85 -140.64 161.09 38.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.91 120.19 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 44' ' ' SER . 17.2 tttt -73.5 -42.6 61.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 154.04 173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.756 HG12 HD22 ' A' ' 25' ' ' LEU . 14.1 m -97.49 136.49 28.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG2' ' HA2' ' A' ' 24' ' ' GLY . 3.0 t -40.31 -30.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.415 1.072 . . . . 0.0 109.355 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.3 tptt 80.71 11.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.8 34.73 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.95 177.84 16.49 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.829 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -74.1 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 0.8 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.835 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -67.92 -8.32 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -53.56 6.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.472 HG23 ' OD2' ' A' ' 52' ' ' ASP . 93.8 t -76.23 -31.21 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.33 -42.74 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.249 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.56 ' O ' ' HG2' ' A' ' 56' ' ' ARG . . . -75.62 -44.11 21.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 47.99 42.44 16.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.226 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 HD11 ' A' ' 25' ' ' LEU . 34.9 mt -67.82 154.49 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.23 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 163.24 24.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -103.55 116.7 32.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.608 1.192 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.09 16.34 5.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 19.4 m-20 -74.41 170.53 15.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 35.7 tt0 -120.59 111.64 17.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.407 1.067 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.707 HD23 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -88.62 149.81 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -141.74 -34.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.622 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -115.06 153.41 30.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.832 HG21 ' CB ' ' A' ' 79' ' ' ALA . 3.7 p -126.18 155.19 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.615 ' H ' HD12 ' A' ' 92' ' ' LEU . 49.4 t0 -66.25 122.64 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.51 -24.43 32.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 36.1 mtp85 -139.51 118.69 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.725 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -78.12 76.0 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 72' ' ' VAL . 81.6 mt -54.97 -55.7 27.84 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 77.8 -8.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 109.275 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 147.71 54.05 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.857 ' HB2' HD22 ' A' ' 71' ' ' LEU . 12.2 mt -116.76 174.0 6.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.564 0.802 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.8 167.69 19.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 1.033 ' CD ' HD11 ' A' ' 27' ' ' ILE . 1.6 mm100 -74.52 -11.37 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.24 -71.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -53.88 53.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.832 ' CB ' HG21 ' A' ' 66' ' ' VAL . . . -50.81 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 2.49 -80.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.379 1.049 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.643 ' C ' ' H ' ' A' ' 83' ' ' MET . 12.9 tt0 -52.61 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.54 20.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.789 ' HE2' HD13 ' A' ' 27' ' ' ILE . 3.3 tpt -121.8 -29.39 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.558 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 1.3 m -89.78 -52.25 5.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -64.33 67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 1.003 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -83.73 -51.27 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 0.0 110.415 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.5 OUTLIER 34.62 58.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.085 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER 161.33 -64.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.058 . . . . 0.0 110.039 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.549 ' N ' HG23 ' A' ' 86' ' ' THR . 11.6 p -164.12 152.3 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.003 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -121.22 94.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.057 ' C ' HD13 ' A' ' 92' ' ' LEU . 5.4 p -94.36 104.74 16.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.057 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -121.29 167.37 12.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 64' ' ' LEU . 44.2 tt0 -116.6 111.82 20.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 13' ' ' ILE . 16.8 m -112.03 164.9 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.371 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.91 150.46 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? 62.02 160.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -94.37 -79.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.192 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.4 -167.57 24.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.56 1.163 . . . . 0.0 111.053 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -150.23 171.08 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 109.299 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -136.08 104.22 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CD1' ' C ' ' A' ' 101' ' ' TYR . 2.0 p90 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 155.24 43.52 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 3' ' ' LEU . 4.5 tt -179.63 143.74 0.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.43 146.69 13.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -178.52 84.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 0.805 . . . . 0.0 109.903 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.05 114.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.51 159.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.35 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -49.23 111.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.626 1.204 . . . . 0.0 109.35 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 162.67 171.35 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.622 1.201 . . . . 0.0 110.311 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.812 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -74.98 101.04 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.3 165.93 13.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 12' ' ' ILE . 15.1 tt -92.6 110.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.735 HG13 HG22 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -97.8 145.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.815 ' CB ' HG22 ' A' ' 91' ' ' THR . 16.7 p -132.87 110.31 10.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.842 HG13 HG23 ' A' ' 90' ' ' VAL . 8.6 p -114.5 125.81 71.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' LYS . 93.8 m -98.3 148.0 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.634 1.209 . . . . 0.0 110.409 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -59.13 85.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -67.25 -69.27 0.32 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.381 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -77.21 -7.08 55.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.65 ' HA ' HD13 ' A' ' 17' ' ' LEU . 29.1 mt-30 53.06 41.23 32.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' MET . 5.4 m-20 -105.1 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.255 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 66.55 -65.8 0.17 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.534 ' HE3' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER 165.48 -65.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 111.02 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.917 ' O ' HG13 ' A' ' 45' ' ' VAL . . . 79.31 79.34 0.82 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 45' ' ' VAL . 7.1 mt -152.45 152.44 31.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.781 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -143.23 109.23 5.23 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.539 1.149 . . . . 0.0 109.952 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' A' ' 63' ' ' LEU . 1.3 pt -121.54 175.38 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.05 142.13 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.616 1.197 . . . . 0.0 109.349 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -127.27 123.64 36.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 37' ' ' LYS . . . -98.52 157.04 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HA ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -117.07 169.11 9.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.594 1.184 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.27 -147.5 17.85 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.379 1.049 . . . . 0.0 111.038 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.27 137.77 43.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 0.741 . . . . 0.0 109.226 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.687 ' HA2' HD12 ' A' ' 38' ' ' LEU . . . -74.54 54.7 2.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.084 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' CG ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 175.53 40.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 110.378 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.28 -58.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 mtmm -130.49 -54.85 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD12 ' HA2' ' A' ' 34' ' ' GLY . 2.0 tm? -37.71 120.76 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' N ' HD22 ' A' ' 38' ' ' LEU . . . 156.66 153.78 6.77 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.952 HG21 HD23 ' A' ' 63' ' ' LEU . 1.4 mt -102.05 155.02 4.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 O-C-N 124.464 0.743 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 66.4 m-85 -159.12 165.82 32.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.355 1.034 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG2' ' HB2' ' A' ' 61' ' ' ASP . 15.3 t -103.09 124.63 57.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' O ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -80.98 -55.11 5.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 173.95 173.79 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 24' ' ' GLY . 8.2 t -96.99 149.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.058 . . . . 0.0 109.203 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.8 t -65.54 -16.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.602 1.189 . . . . 0.0 109.306 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER 71.51 21.16 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.277 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -160.66 61.48 0.29 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -152.75 177.58 30.36 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -67.71 -64.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -67.1 -8.2 28.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.796 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.63 -56.25 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.6 t -81.34 -34.5 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.36 -60.21 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.432 1.083 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.61 -57.7 18.45 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 56.47 42.85 26.89 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.525 0.78 . . . . 0.0 110.261 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.16 169.15 15.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.38 171.16 7.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -94.28 127.59 40.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 120.77 8.25 8.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m-20 -75.07 112.1 10.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 55.6 tt0 -73.86 116.76 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.952 HD23 HG21 ' A' ' 40' ' ' ILE . 3.0 tp -97.64 155.56 16.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.621 HD23 ' CA ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -146.29 -39.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.98 160.58 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.095 . . . . 0.0 109.961 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.809 HG23 ' SD ' ' A' ' 83' ' ' MET . 2.2 p -130.81 169.81 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CA ' ' O ' ' A' ' 91' ' ' THR . 54.4 t0 -71.41 131.52 43.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 69' ' ' ARG . . . 76.83 -5.86 44.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.602 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -150.1 116.57 5.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 0.777 . . . . 0.0 110.324 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LEU . 58.3 p -86.66 65.13 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.814 ' O ' HG12 ' A' ' 72' ' ' VAL . 7.9 mp -37.31 -55.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.814 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 82.76 -5.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.407 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.621 ' CA ' HD23 ' A' ' 64' ' ' LEU . . . 142.41 54.6 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.784 ' O ' HD11 ' A' ' 40' ' ' ILE . 16.8 mt -117.53 175.11 5.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 0.785 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.65 168.05 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.523 ' OE1' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -79.61 -10.72 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.56 -71.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.678 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.01 -58.53 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.643 1.214 . . . . 0.0 110.355 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.8 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -44.61 -81.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.641 1.213 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -9.08 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.225 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 83' ' ' MET . 6.5 tt0 -42.42 -67.17 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.406 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -73.53 14.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.072 . . . . 0.0 109.27 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.809 ' SD ' HG23 ' A' ' 66' ' ' VAL . 46.6 ttp -122.63 -7.44 8.57 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.542 1.151 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 1.8 m -103.28 -48.66 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 59.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.885 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -85.8 -54.17 4.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.428 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 86' ' ' THR . 1.3 m 29.64 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m 175.25 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.929 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.576 ' O ' HG23 ' A' ' 86' ' ' THR . 14.9 p -153.93 154.91 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.885 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -130.39 103.66 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.815 HG22 ' CB ' ' A' ' 14' ' ' THR . 1.5 p -105.18 110.78 23.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -134.2 159.62 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 65' ' ' SER . 6.3 tt0 -102.99 111.53 23.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.735 HG22 HG13 ' A' ' 13' ' ' ILE . 5.8 m -117.81 158.49 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.812 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -127.06 126.73 43.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -51.57 -57.32 9.43 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -38.17 119.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.12 155.22 7.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.43 106.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.6 mt -98.12 -72.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -60.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.598 1.841 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mt 60.29 168.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.065 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.67 112.1 0.95 Allowed Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.493 1.121 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 p -169.9 167.9 8.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 0.83 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 mp -87.83 152.75 21.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.96 156.61 22.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.62 -179.19 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HG2' ' CD ' ' A' ' 10' ' ' PRO . 3.1 mt-10 -142.69 171.92 6.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.638 ' HA ' ' HB2' ' A' ' 95' ' ' ALA . 18.0 Cg_endo -75.16 144.39 29.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.685 ' HB3' HD11 ' A' ' 13' ' ' ILE . 8.0 tt0 -119.6 144.61 47.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.251 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.788 ' C ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -88.65 110.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.862 HG12 HG22 ' A' ' 94' ' ' VAL . 1.5 mm -105.52 145.21 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.847 ' HB ' HG22 ' A' ' 91' ' ' THR . 68.6 p -128.43 111.19 13.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -106.18 111.03 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 7.4 m -101.13 120.25 39.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.605 1.191 . . . . 0.0 110.372 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -40.42 117.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -45.03 5.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -95.15 -4.34 46.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.375 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 91.6 mt-30 55.51 41.51 30.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.265 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.767 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -95.64 44.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.485 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 70.28 -56.87 0.86 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.528 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 167.48 -80.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 110.975 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' HA2' HG21 ' A' ' 46' ' ' VAL . . . 82.88 62.18 1.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.572 ' CD2' HG12 ' A' ' 45' ' ' VAL . 3.1 mt -129.62 165.13 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -146.56 116.49 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.003 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.701 HD11 ' HE3' ' A' ' 83' ' ' MET . 0.3 OUTLIER -145.59 168.41 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -151.3 171.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB2' ' CG ' ' A' ' 76' ' ' GLN . . . -139.26 127.8 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 1.061 . . . . 0.0 109.184 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.633 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -95.1 147.67 23.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.058 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 118.28 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 38.01 45.79 1.69 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.32 152.22 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.38 49.01 4.07 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -169.01 31.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 0.716 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.31 -173.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.37 1.044 . . . . 0.0 109.292 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -127.35 44.13 2.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 30' ' ' ALA . 4.9 tp 66.86 135.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' HD12 ' A' ' 38' ' ' LEU . . . 158.34 155.98 7.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.0 HG21 HD23 ' A' ' 63' ' ' LEU . 1.1 mt -98.91 146.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 62.4 m-85 -149.31 161.75 41.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.592 1.182 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.507 HG22 ' CG2' ' A' ' 27' ' ' ILE . 42.5 t -102.4 128.58 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 tttt -79.93 -43.19 22.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER 159.46 172.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 25' ' ' LEU . 5.5 m -93.29 137.49 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 2.7 t -40.36 -33.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 23.7 tptt 87.98 8.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.37 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -155.15 36.46 0.65 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -122.57 176.05 16.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.767 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -68.71 -67.3 0.48 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -61.36 -24.72 66.67 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.08 -55.29 30.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' OD2' ' A' ' 52' ' ' ASP . 59.7 t -77.85 -59.32 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -61.22 2.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -57.86 -51.06 60.38 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.543 1.152 . . . . 0.0 111.067 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 55.13 45.91 25.07 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.27 165.01 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.11 . . . . 0.0 109.203 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.81 156.05 18.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 44' ' ' SER . . . -94.38 113.74 25.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.11 23.77 3.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 6.3 m-20 -74.63 170.99 14.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 36.3 tt0 -119.37 107.71 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.337 1.023 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.0 HD23 HG21 ' A' ' 40' ' ' ILE . 2.6 tp -88.75 155.18 19.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.786 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -146.48 -37.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 1.4 p -115.66 163.03 16.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.862 HG23 ' SD ' ' A' ' 83' ' ' MET . 9.0 p -131.7 164.25 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 0.0 109.437 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.506 ' CA ' ' O ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -72.88 129.59 38.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 -8.81 74.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.589 1.18 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 66' ' ' VAL . 51.8 mtp85 -150.88 118.93 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.731 ' O ' HG13 ' A' ' 72' ' ' VAL . 62.1 m -85.09 75.46 10.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 72' ' ' VAL . 4.0 mt -54.62 -60.63 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER 78.88 -5.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 -179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.552 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 150.75 52.23 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.831 ' HB2' HD22 ' A' ' 71' ' ' LEU . 13.5 mt -116.15 172.52 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 0.702 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.81 152.46 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.823 ' CG ' ' HB2' ' A' ' 29' ' ' ALA . 1.6 mm100 -64.68 -11.0 31.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.621 1.201 . . . . 0.0 110.211 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -43.82 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -47.79 -56.29 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.706 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.86 -90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . 4.74 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.8 tt0 -51.31 -69.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.572 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -54.25 -15.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.862 ' SD ' HG23 ' A' ' 66' ' ' VAL . 32.0 ttp -97.41 -15.63 20.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.564 ' N ' ' O ' ' A' ' 80' ' ' ALA . 71.4 m -76.68 -64.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -66.86 66.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.995 HG21 HG13 ' A' ' 90' ' ' VAL . 22.6 m -82.91 -41.92 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 86' ' ' THR . 0.9 OUTLIER 89.55 -64.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 89' ' ' VAL . 17.6 m -175.04 50.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.777 ' H ' HG22 ' A' ' 86' ' ' THR . 14.0 p 178.66 92.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.995 HG13 HG21 ' A' ' 86' ' ' THR . 0.0 OUTLIER -105.84 93.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.847 HG22 ' HB ' ' A' ' 14' ' ' THR . 0.8 OUTLIER -97.42 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.612 1.195 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.802 HD23 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -130.85 162.42 29.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 29.3 tt0 -105.56 112.36 25.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 13' ' ' ILE . 22.2 m -115.27 168.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.638 ' HB2' ' HA ' ' A' ' 10' ' ' PRO . . . -142.42 132.98 25.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 131.61 46.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.684 1.24 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -172.47 102.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.47 179.4 42.35 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.58 -171.26 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 tt -122.21 171.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.059 . . . . 0.0 109.254 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 33.8 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 111.058 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.36 7.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.524 1.802 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.76 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.1 -166.1 11.24 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.488 1.117 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m 63.49 117.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 0.717 . . . . 0.0 110.027 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.92 84.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.614 1.196 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -103.94 -46.48 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.82 87.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.523 1.139 . . . . 0.0 109.41 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.57 163.12 0.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 18.3 Cg_endo -74.96 125.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER 167.05 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.231 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 12' ' ' ILE . 8.1 tt -82.19 116.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.652 ' CG1' HG22 ' A' ' 94' ' ' VAL . 1.4 mm -101.43 143.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.74 ' HB ' HG22 ' A' ' 91' ' ' THR . 0.9 OUTLIER -125.04 122.06 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.646 1.216 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.733 HG13 HG23 ' A' ' 90' ' ' VAL . 12.2 p -117.73 131.12 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.065 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 m -105.32 159.52 15.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -89.71 107.72 19.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.87 -55.6 3.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -76.35 -1.89 29.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 55.83 35.32 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.817 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 1.8 m-20 -100.07 153.0 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.65 -63.12 0.05 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 163.96 -49.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' CA ' ' HB ' ' A' ' 46' ' ' VAL . . . 61.11 62.37 5.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.717 ' CD2' HG12 ' A' ' 45' ' ' VAL . 2.2 mt -126.0 165.58 18.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 0.748 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.8 m -144.94 114.74 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.619 HD12 ' N ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -132.09 166.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.619 ' N ' HD12 ' A' ' 27' ' ' ILE . 2.3 p -152.8 139.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -125.41 142.69 51.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.894 ' O ' HD22 ' A' ' 38' ' ' LEU . . . -124.38 169.79 11.47 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.814 ' HD2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -140.9 163.04 34.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.353 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.58 -176.12 41.8 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.89 166.94 23.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 109.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.23 -80.47 0.28 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.1 mt-30 -91.59 85.97 5.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 0.778 . . . . 0.0 110.354 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' GLN . 3.9 m-20 78.12 126.47 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.77 99.44 6.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 30' ' ' ALA . 1.9 tm? 68.41 134.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.864 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -165.26 124.88 1.29 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.547 1.154 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.908 HG21 HD23 ' A' ' 63' ' ' LEU . 1.3 mt -99.63 160.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 0.818 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 68.7 m-85 -158.85 152.62 23.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG2' ' OD2' ' A' ' 61' ' ' ASP . 24.8 t -95.49 120.08 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 44' ' ' SER . 15.1 tttt -73.38 -46.02 51.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.594 1.184 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 p 156.13 173.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.717 HG12 ' CD2' ' A' ' 25' ' ' LEU . 13.7 m -89.27 134.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.509 ' HB ' ' CA ' ' A' ' 24' ' ' GLY . 4.1 t -53.41 -20.37 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.6 tptt 74.97 31.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -164.42 45.27 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.417 1.073 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -144.56 162.69 27.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.859 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -62.1 -47.32 85.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -75.13 -29.1 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.75 -51.8 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG23 ' OD2' ' A' ' 52' ' ' ASP . 19.1 t -81.59 -64.06 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -50.61 -62.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.236 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -50.01 -60.92 6.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.87 44.47 25.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.303 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.62 158.38 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 156.35 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 43' ' ' LYS . . . -108.14 113.51 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.6 16.21 6.56 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 1.5 p30 -80.13 171.88 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.8 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 23.7 tt0 -108.42 109.84 21.22 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.908 HD23 HG21 ' A' ' 40' ' ' ILE . 2.7 tp -93.86 154.48 17.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.653 HD13 ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -146.95 -36.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.489 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 3.4 m -108.3 146.31 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.859 ' CB ' ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -120.37 161.25 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.57 ' H ' HD22 ' A' ' 92' ' ' LEU . 15.4 t70 -70.57 113.94 8.18 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.556 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 109.11 -15.73 33.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.41 1.068 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -150.4 117.48 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' LEU . 57.0 m -75.98 55.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.934 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD23 ' CB ' ' A' ' 74' ' ' LEU . 9.3 mp -33.91 -64.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.399 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 85.76 -11.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.373 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.451 ' O ' HD12 ' A' ' 38' ' ' LEU . . . 158.34 50.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.457 1.098 . . . . 0.0 111.075 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.85 ' O ' HD11 ' A' ' 40' ' ' ILE . 11.5 mt -120.93 172.02 8.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.778 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.48 ' CA ' HD21 ' A' ' 38' ' ' LEU . 2.4 p -73.95 155.57 38.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 109.941 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.779 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -81.5 -5.78 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' HE21 ' A' ' 76' ' ' GLN . 8.7 mm-40 -46.77 -62.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.18 . . . . 0.0 110.302 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.448 HH12 HD22 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -80.46 -41.23 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.218 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.859 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -60.11 -75.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -25.57 -45.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 79' ' ' ALA . 11.5 tt0 -60.37 -79.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.955 HD13 ' O ' ' A' ' 82' ' ' LEU . 1.4 tm? -49.35 -21.92 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.424 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.855 ' SD ' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -87.31 -22.77 24.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 0.0 110.907 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.534 ' N ' ' O ' ' A' ' 80' ' ' ALA . 9.2 m -64.8 -58.05 7.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.03 58.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 110.404 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.928 ' OG1' HG13 ' A' ' 90' ' ' VAL . 1.9 m -87.48 -57.02 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 29.55 77.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.931 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 87' ' ' SER . 1.4 m 153.73 -60.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 86' ' ' THR . 8.5 p -168.28 131.89 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.928 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -114.04 110.79 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.047 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -97.9 106.74 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.047 HD23 ' C ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -126.04 144.05 50.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.653 ' OE2' HD13 ' A' ' 64' ' ' LEU . 25.5 tt0 -95.05 123.04 38.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.652 HG22 ' CG1' ' A' ' 13' ' ' ILE . 5.1 m -113.28 170.1 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.8 ' HB3' ' HB3' ' A' ' 62' ' ' GLN . . . -141.82 126.55 18.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.22 75.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.397 1.061 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 176.49 114.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 99' ' ' ALA . . . 167.25 -97.82 0.14 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.59 1.181 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . 71.34 98.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 0.717 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 mt 67.27 -81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.383 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.126 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.12 62.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.93 164.09 31.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.05 51.4 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.3 pt? -158.56 146.81 18.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.333 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -91.83 -64.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.37 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 109.283 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.13 172.68 1.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.851 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.8 Cg_endo -74.9 138.34 23.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 13.4 pt-20 -144.42 156.62 44.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.214 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.04 111.37 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mt -107.9 150.51 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.623 ' CB ' HG22 ' A' ' 91' ' ' THR . 8.8 t -121.58 129.06 52.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -116.63 111.71 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.387 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.764 HG23 HG12 ' A' ' 89' ' ' VAL . 28.4 m -86.46 144.59 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -69.23 97.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -81.6 -61.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.058 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -4.56 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.342 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 56.32 34.57 24.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.649 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 t-20 -111.24 162.33 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 21' ' ' ASN . . . -24.61 -66.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.745 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 157.71 -44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.396 0.704 . . . . 0.0 110.948 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 46' ' ' VAL . . . 61.04 66.17 2.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 25' ' ' LEU . 3.4 mt -123.69 155.76 37.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.6 t -140.4 109.95 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 0.2 OUTLIER -129.08 169.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.59 143.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.221 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 40' ' ' ILE . . . -126.48 141.05 52.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -118.89 164.57 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' CD ' ' C ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -149.07 169.61 20.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.96 -158.25 21.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.83 159.47 44.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.56 -69.54 2.58 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -75.62 -30.43 59.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 0.788 . . . . 0.0 110.353 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.99 145.91 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.45 78.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 1.1 mm? 60.3 107.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.83 124.87 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.941 HG21 HD23 ' A' ' 63' ' ' LEU . 1.1 mt -100.71 156.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.596 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -151.72 172.13 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.094 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.2 t -119.3 118.0 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -72.95 -47.27 46.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.1 t 154.17 173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.081 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG23 ' H ' ' A' ' 47' ' ' LYS . 12.8 m -81.09 157.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.388 1.055 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.508 HG23 ' C ' ' A' ' 24' ' ' GLY . 60.0 t -81.14 4.57 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 18.5 pttt 49.05 44.25 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -178.43 42.93 0.09 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.482 1.114 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.489 ' HA3' ' C ' ' A' ' 23' ' ' MET . . . -146.21 166.9 27.99 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.653 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -61.68 -59.31 5.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.405 ' HB1' HG11 ' A' ' 15' ' ' VAL . . . -65.25 -28.22 69.2 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -56.62 -52.85 63.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.3 t -80.66 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -52.49 -64.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.394 1.059 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' ALA . . . -50.32 -56.29 13.33 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.396 1.06 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 55.21 45.96 24.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 0.811 . . . . 0.0 110.354 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 mt -69.55 148.67 49.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.57 154.01 21.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 44' ' ' SER . . . -81.42 115.44 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.596 ' HA2' ' CE2' ' A' ' 41' ' ' TYR . . . 117.71 42.82 0.6 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.561 1.163 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 2.1 m-20 -106.76 116.3 31.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 95' ' ' ALA . 3.1 tt0 -74.63 115.85 14.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.941 HD23 HG21 ' A' ' 40' ' ' ILE . 1.1 tp -99.44 152.12 20.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -137.45 -40.36 0.57 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.422 1.076 . . . . 0.0 109.355 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.545 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -109.03 155.54 20.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.982 HG22 ' HG3' ' A' ' 83' ' ' MET . 0.5 OUTLIER -125.86 158.08 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.495 ' CA ' ' O ' ' A' ' 91' ' ' THR . 61.4 t0 -70.37 115.46 9.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.687 1.242 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.409 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . 107.48 -19.14 34.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -151.12 115.57 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 110.258 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.789 ' O ' HG13 ' A' ' 72' ' ' VAL . 45.0 p -78.29 74.1 4.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.988 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.43 -51.56 62.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.415 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.988 HG22 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER 79.56 -5.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.506 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 148.9 53.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.415 1.072 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 9.2 mt -121.23 173.25 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.472 ' HA ' ' HB1' ' A' ' 29' ' ' ALA . 51.9 p -71.92 156.56 39.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.63 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.4 pt20 -82.49 -14.17 55.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.629 1.206 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' GLN . 23.1 mt-10 -38.27 -57.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -56.64 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.828 ' HB1' ' CB ' ' A' ' 66' ' ' VAL . . . -47.71 -69.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 76' ' ' GLN . . . -27.03 -63.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.84 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 82' ' ' LEU . 1.2 tm? -61.09 -12.11 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.982 ' HG3' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -96.06 -16.15 21.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.62 ' N ' ' O ' ' A' ' 80' ' ' ALA . 24.8 m -78.99 -57.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.67 61.37 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.842 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.98 -55.76 4.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.434 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.4 m 67.2 -60.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' THR . 4.7 m -78.8 -91.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 86' ' ' THR . 1.0 OUTLIER -125.88 170.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.842 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.1 OUTLIER -129.32 105.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.816 ' C ' HD23 ' A' ' 92' ' ' LEU . 1.2 p -97.93 106.76 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.848 HD22 ' SD ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.98 151.84 51.49 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.412 1.07 . . . . 0.0 109.203 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.3 tt0 -98.7 116.52 31.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 10' ' ' PRO . 18.1 m -119.67 165.88 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.851 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -141.0 129.11 22.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -67.43 146.49 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.402 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -173.06 -68.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.616 1.197 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . 88.51 138.74 6.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . -179.63 -53.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 0.807 . . . . 0.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.0 mt 64.69 140.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.0 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 110.942 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.04 145.07 30.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.561 1.821 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.68 -62.22 0.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.79 138.88 2.74 Favored Glycine 0 CA--C 1.532 1.14 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -168.52 -42.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.603 0.825 . . . . 0.0 109.929 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.16 -80.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.17 161.11 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -103.91 142.53 34.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.87 158.6 1.22 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.97 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -75.07 152.16 40.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.438 1.757 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -149.81 162.45 40.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' ILE . 11.2 tt -90.25 111.95 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 94' ' ' VAL . 2.5 mm -98.25 145.89 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.69 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.0 t -125.42 122.13 35.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.986 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -112.22 114.2 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -88.14 148.25 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -83.35 95.46 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -78.95 -63.63 1.37 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.586 1.178 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -78.12 -4.35 46.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.531 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER 52.58 41.19 31.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.748 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 49.3 t-20 -91.14 37.62 0.94 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.564 ' C ' HD11 ' A' ' 17' ' ' LEU . . . 77.13 -53.45 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.758 ' CE ' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER 166.74 -77.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.549 0.793 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . 88.15 45.32 5.09 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.772 HD22 HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -114.32 162.68 16.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.777 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.1 t -144.81 118.98 9.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.621 1.201 . . . . 0.0 109.95 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.625 HD12 HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -134.73 172.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.411 ' N ' HG13 ' A' ' 27' ' ' ILE . 33.9 t -150.24 156.02 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB3' ' OE1' ' A' ' 76' ' ' GLN . . . -136.26 132.83 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 38' ' ' LEU . . . -112.07 157.98 20.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.22 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -151.57 119.23 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.94 82.96 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.14 125.3 47.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 0.825 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.27 -73.28 1.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -157.37 69.89 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.391 0.701 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 71.86 116.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.265 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 -87.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 39' ' ' GLY . 2.1 tt 62.91 126.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.761 ' N ' HD23 ' A' ' 38' ' ' LEU . . . 176.41 150.44 8.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.638 HD11 ' O ' ' A' ' 74' ' ' LEU . 1.1 mt -102.24 156.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.518 0.775 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 61.5 m-85 -155.17 169.69 23.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' GLY . 54.2 t -110.81 121.46 63.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.665 1.228 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 44' ' ' SER . 6.1 tttm -74.18 -44.93 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 1.6 t 156.04 174.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.56 1.162 . . . . 0.0 110.011 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.772 HG12 HD22 ' A' ' 25' ' ' LEU . 18.8 m -93.67 135.34 28.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.647 1.217 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.3 t -39.79 -30.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.635 1.21 . . . . 0.0 109.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 3.8 tptp 83.42 10.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -154.44 38.97 0.66 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -124.25 176.24 16.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.626 0.839 . . . . 0.0 111.045 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.748 ' HB2' ' H ' ' A' ' 21' ' ' ASN . . . -72.21 -65.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.986 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -69.09 -6.6 29.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.549 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.79 -52.09 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.396 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.3 -31.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.201 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -81.51 -52.38 7.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 51' ' ' ALA . . . -61.27 -54.07 39.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.07 44.89 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.417 HD21 HG21 ' A' ' 13' ' ' ILE . 77.0 mt -70.87 161.16 31.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.374 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.668 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . . . -75.66 158.55 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 44' ' ' SER . . . -104.55 110.2 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' VAL . . . 116.37 22.07 4.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.434 1.083 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.668 ' OD1' ' HB3' ' A' ' 58' ' ' ALA . 26.7 m-20 -74.3 169.81 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 21.8 tt0 -113.78 112.13 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.73 HD11 ' CB ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -95.06 151.99 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.575 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.3 -35.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.565 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -114.9 163.55 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.057 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.094 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 1.3 t -133.37 160.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 48.1 t0 -60.78 128.62 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.06 -31.9 5.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 66' ' ' VAL . 1.7 mtt-85 -137.71 112.56 8.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.629 ' O ' ' C ' ' A' ' 71' ' ' LEU . 88.7 p -78.24 50.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.574 1.172 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.822 HD21 ' HB ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -20.62 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER 89.11 -7.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.524 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . . . 150.69 52.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.439 1.087 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.638 ' O ' HD11 ' A' ' 40' ' ' ILE . 18.6 mt -114.31 173.3 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.78 155.81 38.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -65.58 -9.27 25.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.348 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -44.38 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -39.69 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.215 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.094 ' HB1' ' CG2' ' A' ' 66' ' ' VAL . . . -59.68 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.64 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -15.14 -69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 83' ' ' MET . 8.3 tt0 -42.03 -69.3 0.14 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.558 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.12 7.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.861 ' SD ' HG22 ' A' ' 66' ' ' VAL . 8.8 ttp -112.35 -7.57 13.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.165 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' THR . 2.5 m -103.34 -53.33 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -64.86 64.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.609 1.193 . . . . 0.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.771 ' OG1' HG13 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -83.74 -54.14 5.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t 67.31 -58.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.97 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -85.09 -77.84 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 86' ' ' THR . 0.9 OUTLIER -140.67 158.72 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.771 HG13 ' OG1' ' A' ' 86' ' ' THR . 0.0 OUTLIER -111.52 109.62 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.054 ' C ' HD13 ' A' ' 92' ' ' LEU . 2.2 p -108.31 105.4 15.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.463 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.054 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -126.3 153.7 44.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.219 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -96.41 113.99 25.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.34 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.702 HG13 HD12 ' A' ' 63' ' ' LEU . 9.2 m -120.42 167.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.97 ' HB2' ' HB3' ' A' ' 10' ' ' PRO . . . -136.86 138.06 40.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 125.75 24.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 178.73 174.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.52 155.06 20.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -170.4 -67.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.5 mt 64.83 147.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.373 1.046 . . . . 0.0 110.997 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 81.96 2.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.447 1.762 . . . . 0.0 111.003 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.61 -63.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.405 1.065 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.18 125.16 1.63 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -143.83 148.96 36.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.489 0.758 . . . . 0.0 110.113 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt 64.71 164.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.427 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 177.06 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.36 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER 45.51 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -178.78 162.41 1.08 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.869 ' HA ' ' HB2' ' A' ' 95' ' ' ALA . 18.4 Cg_endo -74.97 136.68 20.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.434 1.755 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -118.21 153.54 33.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.519 ' C ' HD13 ' A' ' 13' ' ' ILE . 1.2 tt -89.06 111.04 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.223 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.664 ' CG1' HG22 ' A' ' 94' ' ' VAL . 1.0 OUTLIER -99.86 140.66 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.679 HG23 HG22 ' A' ' 91' ' ' THR . 3.0 m -118.73 109.19 15.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.909 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -105.76 108.71 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.405 ' OG1' ' CG1' ' A' ' 89' ' ' VAL . 1.1 m -94.92 155.32 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -96.24 109.06 21.6 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -48.61 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 0.0 109.401 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -88.1 -5.35 58.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.216 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 52.59 39.25 27.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.627 1.205 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.636 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 17.8 t-20 -87.26 48.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 23' ' ' MET . . . 70.1 -54.52 0.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.413 1.07 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 158.92 -70.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.574 0.808 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 46' ' ' VAL . . . 78.28 66.96 1.68 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 45' ' ' VAL . 15.3 mt -132.94 160.54 36.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' LYS . 1.1 t -142.64 122.37 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.584 HD13 ' CE ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -131.44 169.38 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -151.67 131.0 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.38 141.81 46.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 38' ' ' LEU . . . -120.52 139.71 52.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.79 146.84 47.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.13 82.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.44 136.91 43.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.95 68.03 2.0 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.607 1.192 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -175.55 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -161.41 158.9 27.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -95.66 97.06 9.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 75' ' ' SER . 0.2 OUTLIER 78.3 117.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.375 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -138.23 112.2 0.87 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 111.078 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.867 HD11 ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -95.03 149.22 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 0.799 . . . . 0.0 109.274 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 61' ' ' ASP . 55.5 m-85 -147.4 170.19 17.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 1.199 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 54.2 t -106.7 121.8 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 44' ' ' SER . 16.9 tptm -73.59 -44.71 56.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 2.7 p 157.1 173.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' OD1' ' A' ' 52' ' ' ASP . 11.6 m -94.47 136.61 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 3.4 t -42.98 -28.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER 82.71 7.44 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . -150.96 35.42 0.91 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 23' ' ' MET . . . -118.85 170.69 13.91 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.914 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -71.6 -53.06 14.94 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 109.38 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.909 ' HB1' ' CG1' ' A' ' 15' ' ' VAL . . . -77.51 -8.48 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -80.05 -52.5 7.73 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.499 HG23 ' OD2' ' A' ' 52' ' ' ASP . 42.8 t -81.04 -33.19 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 55.8 t0 -79.01 -51.5 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 15' ' ' VAL . . . -65.81 -48.25 68.36 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 55.46 45.23 25.62 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.382 0.696 . . . . 0.0 110.347 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.632 ' CD2' HG21 ' A' ' 13' ' ' ILE . 56.7 mt -69.38 151.92 45.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 61' ' ' ASP . . . -81.65 146.96 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.45 116.65 27.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.46 16.23 5.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 41' ' ' TYR . 26.7 m-20 -73.51 167.44 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 0.83 . . . . 0.0 109.268 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -117.77 106.75 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.826 HD23 HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -82.66 153.46 25.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.783 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 64.1 mt -144.11 -39.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.557 ' HA ' ' HB2' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -119.51 168.39 11.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.853 HG23 ' SD ' ' A' ' 83' ' ' MET . 9.8 p -131.36 169.29 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.533 ' H ' HD12 ' A' ' 92' ' ' LEU . 1.6 p-10 -70.78 128.77 37.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.205 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.08 -11.51 42.33 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.472 1.108 . . . . 0.0 110.939 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.811 ' O ' HG12 ' A' ' 66' ' ' VAL . 41.5 mtp180 -151.49 105.08 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 0.724 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 15.4 m -78.13 80.53 4.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.961 HD22 ' HB2' ' A' ' 74' ' ' LEU . 64.5 mt -45.42 -50.91 12.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER 81.85 -7.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 140.72 48.69 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.45 1.094 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.961 ' HB2' HD22 ' A' ' 71' ' ' LEU . 30.7 mt -110.4 176.3 5.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 109.244 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.523 ' HA ' HD11 ' A' ' 38' ' ' LEU . 36.1 m -71.02 150.13 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -68.04 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.6 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -47.71 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.917 ' HB2' HD11 ' A' ' 71' ' ' LEU . . . -46.38 -86.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.182 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -1.31 -82.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 83' ' ' MET . 21.7 tt0 -42.14 -68.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -72.63 12.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.257 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.853 ' SD ' HG23 ' A' ' 66' ' ' VAL . 55.6 ttp -117.79 -14.13 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 80' ' ' ALA . 1.6 m -96.39 -58.59 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.583 1.177 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -67.13 54.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 89' ' ' VAL . 13.4 m -88.93 -53.14 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.35 -73.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -50.07 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.915 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 86' ' ' THR . 1.5 m -137.79 139.67 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.5 ' CG1' ' HB ' ' A' ' 86' ' ' THR . 3.7 m -103.89 102.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.054 ' C ' HD13 ' A' ' 92' ' ' LEU . 3.0 p -102.15 104.59 15.2 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.054 HD13 ' C ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -119.12 164.07 16.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.176 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 3.2 tt0 -108.76 107.86 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.664 HG22 ' CG1' ' A' ' 13' ' ' ILE . 23.1 m -127.87 161.51 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.869 ' HB2' ' HA ' ' A' ' 10' ' ' PRO . . . -122.68 132.55 54.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.637 1.211 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.34 165.77 17.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 61.64 131.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -155.51 -110.36 0.35 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.513 1.133 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . 173.69 -60.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 0.769 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pp -41.67 125.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 stop_ save_