data_1ozz_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 1ozz _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 ' 1' ' ' ASP . . . . . 0.78 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 2.0 m-20 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -96.26 126.16 41.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.02 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 39' ' ' ASN . 60.5 tp -93.1 128.94 39.21 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.408 HD12 ' SG ' ' A' ' 42' ' ' CYS . 1.9 pp -149.68 27.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.659 0.266 . . . . 0.0 111.653 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.96 151.81 6.91 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.024 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 m -90.27 133.12 35.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.943 0.401 . . . . 0.0 110.34 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 t -82.12 -31.13 30.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.284 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.629 HG12 ' HB ' ' A' ' 38' ' ' VAL . 13.9 p -80.38 135.59 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.832 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -69.22 126.48 29.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.62 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.93 -40.26 2.19 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.181 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.6 152.02 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.755 0.312 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.1 p -60.16 139.3 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 67.16 47.52 1.33 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.77 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 41.7 t80 -65.09 136.58 56.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -154.09 101.54 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.649 0.737 . . . . 0.0 110.022 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.415 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 30.4 t -69.15 -42.64 75.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.202 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 68.7 m-80 -76.69 61.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.507 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.12 -47.66 74.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.349 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.24 -54.29 47.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.421 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . . . -63.05 -39.41 94.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.985 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.82 -49.83 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.444 ' SG ' ' HA3' ' A' ' 30' ' ' GLY . 70.8 m -60.87 -44.2 97.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.076 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.692 ' HE2' ' HA ' ' A' ' 20' ' ' ALA . 47.8 mtmt -61.82 -44.49 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.15 -42.25 99.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.74 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -65.08 -57.67 8.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.69 39.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.891 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 75.6 m-85 -132.96 153.68 51.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.12 -43.13 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.595 0.236 . . . . 0.0 111.505 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.13 32.47 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.203 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -154.3 155.63 26.32 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -151.51 138.2 18.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.735 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.52 136.36 44.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.925 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.517 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -155.77 -146.51 4.47 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.47 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.645 ' HB2' ' HE1' ' A' ' 41' ' ' TRP . 22.1 t 67.55 -155.78 0.21 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -69.85 125.98 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.436 0.16 . . . . 0.0 110.763 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.99 27.1 3.04 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.517 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 53.64 35.97 22.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.672 0.389 . . . . 0.0 111.966 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.629 ' HB ' HG12 ' A' ' 8' ' ' VAL . 29.5 m -82.19 -21.72 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.632 ' HB3' HD13 ' A' ' 3' ' ' LEU . 68.8 m-20 -106.82 139.93 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.435 ' O ' HD11 ' A' ' 3' ' ' LEU . 5.3 t -92.59 122.6 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.78 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 81.7 m95 -115.26 120.89 41.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.155 0.502 . . . . 0.0 111.996 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 4' ' ' ILE . 73.4 m -82.38 134.1 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.08 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -73.41 113.22 10.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.845 -178.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.695 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 26.5 m-20 . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -124.17 129.94 51.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 40' ' ' CYS . 13.9 tp -82.08 127.08 32.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.829 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.52 HG23 ' SG ' ' A' ' 22' ' ' CYS . 45.3 pt -108.7 -29.62 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.51 -143.43 4.58 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -129.83 138.59 51.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 111.269 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 52.2 m -80.61 -31.31 36.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.715 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.573 HG11 ' HB ' ' A' ' 38' ' ' VAL . 3.5 p -65.72 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.57 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.424 ' N ' HG23 ' A' ' 8' ' ' VAL . 10.7 m95 -63.28 139.97 58.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.022 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -29.19 7.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.605 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.45 155.15 40.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.38 . . . . 0.0 111.999 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.427 HG23 ' OD1' ' A' ' 13' ' ' ASN . 12.7 p -62.47 141.19 18.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' OD1' HG23 ' A' ' 12' ' ' VAL . 6.5 m120 60.05 50.94 6.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.517 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 51.7 t80 -59.65 131.04 49.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.017 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 15' ' ' THR . 5.2 t -150.43 95.89 2.31 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.993 0.901 . . . . 0.0 110.026 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 26.7 t -71.18 -35.43 71.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.111 -0.949 . . . . 0.0 108.902 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -94.42 54.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.549 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -50.88 -53.22 34.34 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.475 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 35.6 t30 -64.5 -50.1 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.319 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.85 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -60.08 -51.57 69.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.38 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.531 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 4.6 m -66.48 -28.59 68.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 55.4 mtpt -62.71 -40.63 97.76 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -68.79 -41.4 78.8 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.837 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 88.6 mtt-85 -56.87 -48.06 79.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.384 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.57 17.88 0.56 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 5.5 m-85 -90.54 165.57 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . 48.9 mtpt -66.07 -32.79 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.32 0.581 . . . . 0.0 109.673 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.97 -147.38 9.32 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.539 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.89 149.41 11.35 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.03 139.25 17.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.468 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 12.4 m -83.53 120.55 26.07 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 34' ' ' SER . . . -146.23 115.53 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.947 -1.12 . . . . 0.0 113.276 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' GLY . 79.1 p 166.86 -160.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.19 118.45 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 59.85 23.36 12.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.108 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 51.5 44.56 28.97 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.756 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.573 ' HB ' HG11 ' A' ' 8' ' ' VAL . 30.9 m -79.77 -36.18 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 6.3 m120 -81.26 131.95 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.587 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t -95.45 107.41 19.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.995 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.695 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 94.1 m95 -104.81 115.67 30.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.539 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 75.5 m -87.06 137.0 32.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.233 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 67.7 mm-40 -62.11 116.66 5.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.423 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.84 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.708 0.289 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 54.5 tptt -87.59 121.28 29.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.802 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 39' ' ' ASN . 27.4 tp -80.51 127.75 32.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 110.235 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.623 HG21 ' SG ' ' A' ' 42' ' ' CYS . 30.5 pt -118.26 -19.96 5.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.719 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' A' ' 39' ' ' ASN . . . 172.25 -131.71 2.21 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.446 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -157.78 144.41 17.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.872 0.336 . . . . 0.0 111.668 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 50.5 m -79.55 -32.84 42.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.14 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.631 ' HB ' ' O ' ' A' ' 36' ' ' ALA . 3.3 p -72.73 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.812 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -65.1 142.22 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.335 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.11 -31.31 6.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.393 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.538 ' HB3' HG13 ' A' ' 8' ' ' VAL . . . -66.3 144.05 56.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.554 0.216 . . . . 0.0 110.966 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.41 131.16 15.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.839 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 66.39 57.17 0.74 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.475 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.588 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 91.7 t80 -64.56 138.82 58.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -141.74 118.9 11.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.316 0.579 . . . . 0.0 109.837 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.588 ' HG ' ' HE2' ' A' ' 14' ' ' TYR . 9.1 m -77.16 -47.2 20.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.744 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.621 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m120 -87.73 56.87 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.15 -55.6 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.426 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.63 -44.56 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.018 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.65 -40.69 92.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.678 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.397 . . . . 0.0 110.671 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.523 ' SG ' HD13 ' A' ' 4' ' ' ILE . 72.0 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -61.23 -41.33 96.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.762 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -62.22 -34.9 77.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.287 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -77.48 8.19 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.826 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 14.36 82.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.163 -0.541 . . . . 0.0 113.567 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -90.08 161.07 15.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -57.66 -43.78 85.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.427 0.632 . . . . 0.0 109.984 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.24 -164.28 32.34 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.04 143.2 12.59 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -136.05 146.73 47.4 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.08 151.61 46.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.49 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.1 -133.49 0.74 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.95 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.6 m -76.16 -139.7 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -44.89 134.44 5.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.631 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 57.99 28.77 16.7 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.373 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 4.3 m120 57.02 38.3 29.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.409 0.623 . . . . 0.0 110.021 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.596 ' HA ' HG12 ' A' ' 8' ' ' VAL . 14.3 p -72.3 134.39 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.052 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.573 ' HB3' HD12 ' A' ' 3' ' ' LEU . 77.0 m-20 69.46 139.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.556 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' HD11 ' A' ' 3' ' ' LEU . 1.6 m -108.17 114.79 28.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.84 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.2 m95 -107.34 118.24 36.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.43 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.623 ' SG ' HG21 ' A' ' 4' ' ' ILE . 96.5 m -79.19 131.87 36.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.123 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -76.24 113.16 13.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.701 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.33 179.581 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.781 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 3.6 m-20 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.629 0.252 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -119.64 125.82 49.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.491 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 40' ' ' CYS . 6.5 tp -82.01 118.94 23.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.2 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.589 HG23 ' SG ' ' A' ' 42' ' ' CYS . 35.0 pt -99.2 -31.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.081 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.59 -141.67 4.02 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.167 -1.015 . . . . 0.0 113.276 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -131.93 136.05 47.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 111.119 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 28.2 m -77.22 -31.76 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.154 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 38' ' ' VAL . 7.6 p -58.58 138.95 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.729 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.598 ' H ' ' HE3' ' A' ' 9' ' ' TRP . 1.7 m-90 -75.4 46.66 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.67 45.37 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.177 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.433 ' HB1' HG12 ' A' ' 8' ' ' VAL . . . -147.22 173.44 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.86 0.362 . . . . 0.0 111.482 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.3 t -65.64 138.49 22.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.025 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 58.71 54.88 5.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.307 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -59.18 127.4 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.764 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 t -155.74 90.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.899 0.857 . . . . 0.0 109.764 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -42.61 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -88.01 48.6 1.66 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.4 t -60.61 -39.1 86.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.159 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -55.8 -39.25 71.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.142 0.496 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.24 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.622 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 6.3 tp10 -58.51 -44.38 89.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 79.2 m -61.78 -41.68 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.084 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -59.4 -40.74 87.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.386 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.622 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 28.7 mtt85 -72.34 -51.87 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.511 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.4 43.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.756 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 75.8 m-85 -132.12 154.25 49.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.7 -42.35 83.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.79 -157.33 12.0 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.56 147.4 15.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.537 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -140.14 131.57 26.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.193 0.52 . . . . 0.0 111.322 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 8.4 m -83.45 134.35 34.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.637 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.474 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -162.97 -148.82 5.49 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.147 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.511 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 49.4 m 62.88 -145.16 0.37 Allowed 'General case' 0 C--O 1.235 0.342 0 C-N-CA 122.356 0.262 . . . . 0.0 110.804 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.4 t80 -61.61 121.06 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.377 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 38' ' ' VAL . . . 48.19 32.63 3.16 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.905 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 10.5 p-10 41.93 35.04 0.49 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.042 0.937 . . . . 0.0 112.532 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.614 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.5 m -89.66 -37.22 9.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.652 0.263 . . . . 0.0 111.069 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.532 ' N ' HG22 ' A' ' 38' ' ' VAL . 7.0 m120 -70.79 122.29 19.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.219 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.803 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 49.9 t -102.26 125.86 49.09 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.487 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.781 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 72.5 m95 -109.4 123.24 49.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.444 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.589 ' SG ' HG23 ' A' ' 4' ' ' ILE . 79.5 m -74.92 133.9 41.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.169 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.53 121.48 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.355 179.535 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.443 0.163 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -149.26 133.1 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.812 HD12 ' HB3' ' A' ' 39' ' ' ASN . 13.3 tp -84.23 125.14 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.333 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.629 HG22 ' SG ' ' A' ' 42' ' ' CYS . 32.1 pt -99.86 -33.12 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.745 0.307 . . . . 0.0 110.976 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.37 -151.13 8.36 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.588 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.2 m -118.08 139.22 51.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -100.55 20.44 15.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.27 0.557 . . . . 0.0 110.196 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 13.0 p -120.31 136.14 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.093 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -66.79 133.65 50.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.335 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.49 -38.1 3.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.966 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.52 144.65 31.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.0 111.029 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 13' ' ' ASN . 15.0 p -62.48 148.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' A' ' 12' ' ' VAL . 58.1 m-20 66.63 49.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.163 0.506 . . . . 0.0 110.387 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' SER . 62.1 t80 -70.6 136.93 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.213 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.7 t -150.99 112.51 4.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.065 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 t -79.43 -43.92 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.2 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -81.88 52.69 2.0 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.13 0.49 . . . . 0.0 110.545 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.12 -49.8 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.991 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.22 -53.56 55.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.98 79.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.208 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.41 -46.36 86.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.632 0.253 . . . . 0.0 111.052 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.26 -47.04 87.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 0.0 110.327 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.31 -36.29 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.447 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.08 -49.15 71.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.967 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -61.0 -48.14 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.544 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.51 39.6 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.344 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -118.42 157.95 26.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.9 -44.81 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.459 . . . . 0.0 111.059 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.95 -166.39 25.95 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.11 148.69 13.52 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.306 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -158.54 136.71 10.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.333 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.1 t -64.49 132.11 49.03 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.24 -130.65 1.35 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.707 -1.235 . . . . 0.0 113.474 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.69 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 8.7 t 66.53 -142.52 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 38' ' ' VAL . 22.7 t80 -94.74 113.2 24.94 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.724 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.04 43.64 11.14 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 52.83 61.47 3.17 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.657 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 18.1 m -111.78 -44.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.812 ' HB3' HD12 ' A' ' 3' ' ' LEU . 65.5 m-20 -101.02 138.97 37.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.082 0.468 . . . . 0.0 111.926 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.583 ' O ' HD11 ' A' ' 3' ' ' LEU . 7.7 t -91.02 105.97 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.575 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -100.13 124.22 45.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.0 111.488 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.629 ' SG ' HG22 ' A' ' 4' ' ' ILE . 65.4 m -90.1 138.23 31.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.277 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.83 128.84 36.59 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.871 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.664 0.268 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -155.98 129.72 8.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 39' ' ' ASN . 43.0 tp -91.32 129.18 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.349 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.669 HG21 ' SG ' ' A' ' 42' ' ' CYS . 27.5 pt -116.98 -21.19 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.443 ' O ' HD11 ' A' ' 3' ' ' LEU . . . 166.98 -142.47 7.61 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.297 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -141.19 136.3 31.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.112 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 19.6 p -76.27 -38.48 56.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 9' ' ' TRP . 4.4 p -68.96 137.71 23.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.525 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.412 ' N ' HG22 ' A' ' 8' ' ' VAL . 12.6 m95 -66.29 146.83 54.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.099 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.94 -27.63 6.55 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.86 44.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.743 0.306 . . . . 0.0 111.286 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.83 142.59 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.095 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 70.5 m-80 61.08 47.25 7.44 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.652 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -55.99 134.88 52.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 0.0 111.401 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 t -147.03 106.85 3.96 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.708 0.766 . . . . 0.0 109.478 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -66.29 -39.73 89.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.597 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 76.4 m-20 -83.98 53.24 2.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.833 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.89 -45.07 50.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.827 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -81.96 -53.42 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.385 0.612 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -55.11 -42.0 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.003 -0.999 . . . . 0.0 113.247 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 4.2 tp10 -59.57 -44.8 93.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.086 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.639 ' SG ' HD12 ' A' ' 4' ' ' ILE . 87.8 m -61.29 -42.31 98.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.41 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -59.26 -40.64 86.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.713 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 20' ' ' ALA . 5.2 mpt_? -66.23 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.224 0.535 . . . . 0.0 110.212 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 78.6 mtt-85 -83.69 15.22 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.385 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.65 51.42 8.14 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.444 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -132.47 158.56 41.74 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.84 -43.95 97.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 0.0 110.055 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.69 -153.11 9.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.82 144.35 9.14 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.377 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -159.53 145.5 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.875 0.369 . . . . 0.0 111.435 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 31.1 m -74.64 155.45 37.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.317 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.38 -142.95 4.19 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.894 -1.146 . . . . 0.0 113.135 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.2 m 59.88 -137.41 0.71 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.69 0.396 . . . . 0.0 110.069 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.62 124.17 21.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 -123.96 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' HA ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -144.13 38.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.054 0.454 . . . . 0.0 110.641 178.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 m -101.84 162.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.63 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.638 ' HB3' HD12 ' A' ' 3' ' ' LEU . 79.9 m-20 70.93 124.18 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.867 0.729 . . . . 0.0 112.08 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 7' ' ' CYS . 14.1 m -88.53 121.17 30.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.778 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -108.0 120.61 42.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.861 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.669 ' SG ' HG21 ' A' ' 4' ' ' ILE . 90.3 m -73.85 129.43 37.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.229 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -72.28 105.56 4.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.177 -178.764 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.601 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 72.8 m-20 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -131.24 119.88 22.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 40' ' ' CYS . 27.5 tp -75.79 131.4 39.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.036 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.532 HG23 ' SG ' ' A' ' 42' ' ' CYS . 39.8 pt -123.48 -18.09 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.462 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.97 -147.45 10.07 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.377 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -134.46 139.23 45.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 56.7 m -75.37 -27.43 59.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.471 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.611 HG13 ' HB ' ' A' ' 38' ' ' VAL . 6.8 p -70.96 133.68 31.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -69.32 139.93 54.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 -32.32 7.61 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.155 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.445 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -72.95 153.55 40.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.571 0.224 . . . . 0.0 110.755 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.52 139.29 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.282 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 61.94 54.62 2.77 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.23 0.538 . . . . 0.0 110.751 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -61.42 129.41 41.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.298 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -159.34 73.45 0.58 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.503 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 p -55.17 -47.2 75.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.81 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -79.09 58.52 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.0 110.352 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 27.1 t -49.63 -54.61 17.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.682 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.12 -49.21 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -71.89 -42.09 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -59.36 -44.62 92.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -60.28 -38.37 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 97.0 mttt -60.68 -38.61 85.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.408 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 15.9 mtt-85 -63.23 -36.35 83.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.201 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -80.29 8.69 6.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.967 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.28 12.98 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.954 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 43.2 m-85 -118.33 145.59 45.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 43' ' ' GLU . 13.8 pttp -53.17 -43.0 66.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.212 0.529 . . . . 0.0 111.221 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.39 -160.31 12.6 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.41 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.97 166.84 40.03 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -166.14 144.0 5.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.991 0.395 . . . . 0.0 110.675 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.5 m -74.08 133.78 42.89 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -138.24 -158.52 7.8 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.49 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m 66.95 -171.62 0.19 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.518 0.327 . . . . 0.0 110.23 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.75 129.72 41.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.635 0.255 . . . . 0.0 110.728 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.61 13.07 7.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.588 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 m120 50.79 41.49 26.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.344 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.611 ' HB ' HG13 ' A' ' 8' ' ' VAL . 29.7 m -83.87 -40.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.775 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.404 ' N ' HG23 ' A' ' 38' ' ' VAL . 6.7 m120 -71.63 133.07 45.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.772 0.32 . . . . 0.0 111.571 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' O ' HD12 ' A' ' 3' ' ' LEU . 8.7 t -91.93 114.22 26.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.601 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 89.5 m95 -111.92 121.28 44.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 0.0 111.378 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' HG23 ' A' ' 4' ' ' ILE . 97.4 m -80.33 137.28 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.398 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 40.9 mm-40 -69.16 124.65 24.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.148 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.04 -179.693 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.732 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 14.0 m-20 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -113.73 128.68 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.197 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.0 tp -85.76 118.43 25.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.532 HG22 ' SG ' ' A' ' 42' ' ' CYS . 2.7 pp -103.42 -17.27 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.65 -141.34 4.09 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.596 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -130.33 142.52 50.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.325 0.583 . . . . 0.0 110.906 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -89.37 -27.14 20.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.596 HG13 ' HB ' ' A' ' 38' ' ' VAL . 11.4 p -83.95 134.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.099 0.476 . . . . 0.0 110.969 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -68.08 128.89 38.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.66 -37.94 2.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.121 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.21 156.77 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.928 0.395 . . . . 0.0 111.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.36 143.08 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.471 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 63.44 46.18 4.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.94 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -67.43 135.19 52.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.439 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.488 HG23 ' HB2' ' A' ' 18' ' ' CYS . 4.4 t -147.58 108.8 4.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.766 0.793 . . . . 0.0 110.294 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.8 t -77.17 -37.96 52.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.208 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -95.13 45.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.709 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' HB2' HG23 ' A' ' 15' ' ' THR . 51.7 t -56.78 -34.53 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.654 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -54.11 -54.17 43.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -69.86 -37.61 76.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.321 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 31.5 tp10 -53.36 -48.81 68.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.798 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.8 m -63.15 -43.36 98.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.656 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 68.4 mttm -59.74 -41.91 91.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.833 0.349 . . . . 0.0 110.418 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 98.4 mtt180 -62.04 -33.79 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.75 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -81.64 12.44 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.82 44.7 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.06 -0.59 . . . . 0.0 113.551 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 51.3 m-85 -112.54 153.23 27.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -57.57 -43.43 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.081 0.467 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.23 -159.94 19.73 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -160.78 145.81 11.57 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -141.11 135.59 31.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.242 0.544 . . . . 0.0 112.0 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 82.0 m -79.05 128.21 32.98 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.572 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.64 -147.67 4.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.094 -1.051 . . . . 0.0 113.134 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m 66.61 -149.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.6 t80 -73.86 122.97 23.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.696 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.05 40.24 16.8 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.586 0.554 . . . . 0.0 112.289 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 7.6 p-10 41.33 35.8 0.45 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 113.032 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.596 ' HB ' HG13 ' A' ' 8' ' ' VAL . 33.9 m -76.16 -37.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 0.0 111.457 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.465 ' N ' HG22 ' A' ' 38' ' ' VAL . 72.1 m-20 -92.86 128.33 38.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.661 0.267 . . . . 0.0 111.093 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 21.3 t -100.83 122.28 43.15 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.732 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 73.1 m95 -110.06 126.16 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.924 0.392 . . . . 0.0 111.269 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' HG22 ' A' ' 4' ' ' ILE . 72.7 m -76.34 137.12 39.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.831 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.21 121.72 13.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.155 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -86.88 134.16 33.55 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 39' ' ' ASN . 21.3 tp -88.32 127.49 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.097 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 42' ' ' CYS . 26.8 pt -104.91 -27.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.938 0.399 . . . . 0.0 110.814 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.84 -141.52 6.4 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.302 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 37.2 m -130.21 143.09 50.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.698 0.285 . . . . 0.0 110.558 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 p -99.05 32.7 2.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.335 0.588 . . . . 0.0 109.95 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.594 HG12 ' HB ' ' A' ' 38' ' ' VAL . 12.2 p -129.89 140.97 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.472 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -64.43 149.59 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.356 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.22 -41.22 3.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.974 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.44 140.39 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.58 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.84 143.81 14.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 65.76 45.02 2.71 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' SER . 4.5 t80 -71.36 113.22 8.17 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.483 0.659 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.401 HG23 ' HB2' ' A' ' 18' ' ' CYS . 2.9 t -116.8 96.96 5.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.525 178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -68.08 -50.97 51.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.965 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -86.53 48.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' HG23 ' A' ' 15' ' ' THR . 27.7 t -53.95 -49.08 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.72 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 48.3 t30 -54.98 -47.18 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.108 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . . . -65.58 -44.44 86.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -55.15 -48.65 73.41 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.078 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.6 m -62.27 -46.13 90.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.828 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 7.6 mtmp? -58.26 -40.25 81.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 -63.51 -36.34 83.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.448 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -81.74 18.29 1.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.93 -15.8 53.89 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.722 -0.752 . . . . 0.0 114.29 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 73.7 m-85 -70.26 155.21 40.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.445 0.623 . . . . 0.0 110.591 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.86 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.067 0.46 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.88 -157.72 20.6 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -148.57 146.01 15.06 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.626 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -141.33 132.65 26.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.141 0.496 . . . . 0.0 110.639 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 77.8 m -75.3 143.04 43.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.359 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -153.78 -141.24 3.22 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.008 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m 61.01 -147.98 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -84.19 122.51 28.95 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.104 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 28.0 17.67 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.571 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 52.78 39.28 28.46 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.594 ' HB ' HG12 ' A' ' 8' ' ' VAL . 29.1 m -82.67 -48.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.724 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.558 ' HB3' HD12 ' A' ' 3' ' ' LEU . 7.1 m120 -79.68 142.91 35.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.537 ' O ' HD11 ' A' ' 3' ' ' LEU . 14.8 t -112.13 125.72 54.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -108.26 127.86 54.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.73 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 4' ' ' ILE . 71.6 m -75.61 136.7 40.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.15 114.97 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.054 -179.324 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.593 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 71.2 m-20 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.746 0.308 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -87.84 120.52 29.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.512 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 39' ' ' ASN . 40.9 tp -86.8 124.39 32.99 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.447 HG21 ' SG ' ' A' ' 42' ' ' CYS . 43.0 pt -121.45 -8.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.592 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.62 -152.53 17.92 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 119.563 -1.303 . . . . 0.0 113.505 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 77.9 p -137.34 145.88 43.89 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.97 0.414 . . . . 0.0 111.181 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 m -95.87 41.24 1.1 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.39 135.87 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.29 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -64.25 143.87 57.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.529 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -31.25 3.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.163 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' HB2' ' OG ' ' A' ' 6' ' ' SER . . . -69.16 148.82 49.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.71 0.291 . . . . 0.0 110.733 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.46 138.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 61.98 48.22 5.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.682 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -65.92 130.34 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 t -158.48 99.28 1.59 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.393 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -73.81 -37.9 64.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.179 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -84.07 53.97 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.385 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.2 t -44.5 -48.61 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.21 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -55.78 -49.7 72.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -63.99 -43.22 96.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.21 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.621 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 9.2 tp10 -57.18 -45.3 83.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.227 0.536 . . . . 0.0 110.1 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 75.0 m -65.42 -42.52 92.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -61.11 -41.0 95.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.58 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 30.0 mmm180 -62.29 -42.4 99.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.621 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 32.7 mtt85 -67.06 -58.34 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.923 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.38 43.19 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.275 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.587 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 41.2 m-85 -124.02 153.25 41.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HG3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.73 -44.66 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.62 -164.72 22.74 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.69 149.52 15.89 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.923 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -146.99 142.38 27.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.1 0.476 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 37' ' ' ASN . 24.2 m -74.13 129.46 37.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 -140.74 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.757 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m 59.72 -139.42 0.67 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -67.57 105.01 1.73 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.03 -75.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.951 0.782 . . . . 0.0 111.477 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.7 p30 -171.57 36.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 109.889 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 m -73.4 -37.87 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 3' ' ' LEU . 81.8 m-20 -105.15 143.21 33.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.539 ' O ' HD11 ' A' ' 3' ' ' LEU . 7.2 t -89.75 118.48 29.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.38 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 82.7 m95 -116.37 120.92 40.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.0 110.985 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 4' ' ' ILE . 86.5 m -79.07 137.0 37.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.493 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB2' ' HG3' ' A' ' 28' ' ' LYS . 5.8 mm-40 -69.61 129.73 40.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.694 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.456 -179.709 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.78 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 2.0 m-20 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -96.26 126.16 41.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.02 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 39' ' ' ASN . 60.5 tp -93.1 128.94 39.21 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.408 HD12 ' SG ' ' A' ' 42' ' ' CYS . 1.9 pp -149.68 27.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.659 0.266 . . . . 0.0 111.653 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.96 151.81 6.91 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.024 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 m -90.27 133.12 35.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.943 0.401 . . . . 0.0 110.34 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 t -82.12 -31.13 30.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.284 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.629 HG12 ' HB ' ' A' ' 38' ' ' VAL . 13.9 p -80.38 135.59 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.832 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -69.22 126.48 29.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.62 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.93 -40.26 2.19 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.181 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.6 152.02 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.755 0.312 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.1 p -60.16 139.3 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 67.16 47.52 1.33 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.77 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 41.7 t80 -65.09 136.58 56.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -154.09 101.54 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.649 0.737 . . . . 0.0 110.022 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.415 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 30.4 t -69.15 -42.64 75.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.202 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 68.7 m-80 -76.69 61.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.507 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.12 -47.66 74.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.349 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.24 -54.29 47.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.421 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . . . -63.05 -39.41 94.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.985 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.82 -49.83 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.444 ' SG ' ' HA3' ' A' ' 30' ' ' GLY . 70.8 m -60.87 -44.2 97.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.076 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.692 ' HE2' ' HA ' ' A' ' 20' ' ' ALA . 47.8 mtmt -61.82 -44.49 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.15 -42.25 99.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.74 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -65.08 -57.67 8.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.69 39.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.891 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 75.6 m-85 -132.96 153.68 51.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.12 -43.13 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.595 0.236 . . . . 0.0 111.505 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.13 32.47 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.203 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -154.3 155.63 26.32 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -151.51 138.2 18.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.735 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.52 136.36 44.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.925 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.517 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -155.77 -146.51 4.47 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.47 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.645 ' HB2' ' HE1' ' A' ' 41' ' ' TRP . 22.1 t 67.55 -155.78 0.21 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -69.85 125.98 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.436 0.16 . . . . 0.0 110.763 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.99 27.1 3.04 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.517 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 53.64 35.97 22.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.672 0.389 . . . . 0.0 111.966 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.629 ' HB ' HG12 ' A' ' 8' ' ' VAL . 29.5 m -82.19 -21.72 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.632 ' HB3' HD13 ' A' ' 3' ' ' LEU . 68.8 m-20 -106.82 139.93 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.435 ' O ' HD11 ' A' ' 3' ' ' LEU . 5.3 t -92.59 122.6 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.78 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 81.7 m95 -115.26 120.89 41.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.155 0.502 . . . . 0.0 111.996 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 4' ' ' ILE . 73.4 m -82.38 134.1 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.08 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -73.41 113.22 10.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.845 -178.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.695 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 26.5 m-20 . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -124.17 129.94 51.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 40' ' ' CYS . 13.9 tp -82.08 127.08 32.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.829 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.52 HG23 ' SG ' ' A' ' 22' ' ' CYS . 45.3 pt -108.7 -29.62 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.51 -143.43 4.58 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -129.83 138.59 51.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 111.269 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 52.2 m -80.61 -31.31 36.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.715 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.573 HG11 ' HB ' ' A' ' 38' ' ' VAL . 3.5 p -65.72 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.57 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.424 ' N ' HG23 ' A' ' 8' ' ' VAL . 10.7 m95 -63.28 139.97 58.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.022 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -29.19 7.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.605 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.45 155.15 40.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.38 . . . . 0.0 111.999 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.427 HG23 ' OD1' ' A' ' 13' ' ' ASN . 12.7 p -62.47 141.19 18.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' OD1' HG23 ' A' ' 12' ' ' VAL . 6.5 m120 60.05 50.94 6.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.517 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 51.7 t80 -59.65 131.04 49.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.017 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 15' ' ' THR . 5.2 t -150.43 95.89 2.31 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.993 0.901 . . . . 0.0 110.026 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 26.7 t -71.18 -35.43 71.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.111 -0.949 . . . . 0.0 108.902 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -94.42 54.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.549 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -50.88 -53.22 34.34 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.475 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 35.6 t30 -64.5 -50.1 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.319 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.85 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -60.08 -51.57 69.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.38 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.531 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 4.6 m -66.48 -28.59 68.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 55.4 mtpt -62.71 -40.63 97.76 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -68.79 -41.4 78.8 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.837 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 88.6 mtt-85 -56.87 -48.06 79.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.384 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.57 17.88 0.56 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 5.5 m-85 -90.54 165.57 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . 48.9 mtpt -66.07 -32.79 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.32 0.581 . . . . 0.0 109.673 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.97 -147.38 9.32 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.539 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.89 149.41 11.35 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.03 139.25 17.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.468 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 12.4 m -83.53 120.55 26.07 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 34' ' ' SER . . . -146.23 115.53 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.947 -1.12 . . . . 0.0 113.276 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' GLY . 79.1 p 166.86 -160.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.19 118.45 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 59.85 23.36 12.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.108 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 51.5 44.56 28.97 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.756 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.573 ' HB ' HG11 ' A' ' 8' ' ' VAL . 30.9 m -79.77 -36.18 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 6.3 m120 -81.26 131.95 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.587 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t -95.45 107.41 19.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.995 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.695 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 94.1 m95 -104.81 115.67 30.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.539 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 75.5 m -87.06 137.0 32.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.233 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 67.7 mm-40 -62.11 116.66 5.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.423 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.84 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.708 0.289 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 54.5 tptt -87.59 121.28 29.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.802 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 39' ' ' ASN . 27.4 tp -80.51 127.75 32.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 110.235 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.623 HG21 ' SG ' ' A' ' 42' ' ' CYS . 30.5 pt -118.26 -19.96 5.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.719 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' A' ' 39' ' ' ASN . . . 172.25 -131.71 2.21 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.446 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -157.78 144.41 17.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.872 0.336 . . . . 0.0 111.668 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 50.5 m -79.55 -32.84 42.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.14 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.631 ' HB ' ' O ' ' A' ' 36' ' ' ALA . 3.3 p -72.73 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.812 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -65.1 142.22 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.335 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.11 -31.31 6.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.393 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.538 ' HB3' HG13 ' A' ' 8' ' ' VAL . . . -66.3 144.05 56.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.554 0.216 . . . . 0.0 110.966 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.41 131.16 15.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.839 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 66.39 57.17 0.74 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.475 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.588 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 91.7 t80 -64.56 138.82 58.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -141.74 118.9 11.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.316 0.579 . . . . 0.0 109.837 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.588 ' HG ' ' HE2' ' A' ' 14' ' ' TYR . 9.1 m -77.16 -47.2 20.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.744 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.621 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m120 -87.73 56.87 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.15 -55.6 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.426 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.63 -44.56 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.018 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.65 -40.69 92.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.678 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.397 . . . . 0.0 110.671 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.523 ' SG ' HD13 ' A' ' 4' ' ' ILE . 72.0 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -61.23 -41.33 96.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.762 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -62.22 -34.9 77.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.287 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -77.48 8.19 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.826 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 14.36 82.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.163 -0.541 . . . . 0.0 113.567 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -90.08 161.07 15.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -57.66 -43.78 85.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.427 0.632 . . . . 0.0 109.984 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.24 -164.28 32.34 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.04 143.2 12.59 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -136.05 146.73 47.4 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.08 151.61 46.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.49 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.1 -133.49 0.74 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.95 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.6 m -76.16 -139.7 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -44.89 134.44 5.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.631 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 57.99 28.77 16.7 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.373 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 4.3 m120 57.02 38.3 29.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.409 0.623 . . . . 0.0 110.021 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.596 ' HA ' HG12 ' A' ' 8' ' ' VAL . 14.3 p -72.3 134.39 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.052 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.573 ' HB3' HD12 ' A' ' 3' ' ' LEU . 77.0 m-20 69.46 139.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.556 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' HD11 ' A' ' 3' ' ' LEU . 1.6 m -108.17 114.79 28.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.84 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.2 m95 -107.34 118.24 36.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.43 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.623 ' SG ' HG21 ' A' ' 4' ' ' ILE . 96.5 m -79.19 131.87 36.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.123 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -76.24 113.16 13.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.701 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.33 179.581 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.781 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 3.6 m-20 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.629 0.252 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -119.64 125.82 49.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.491 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 40' ' ' CYS . 6.5 tp -82.01 118.94 23.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.2 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.589 HG23 ' SG ' ' A' ' 42' ' ' CYS . 35.0 pt -99.2 -31.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.081 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.59 -141.67 4.02 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.167 -1.015 . . . . 0.0 113.276 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -131.93 136.05 47.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 111.119 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.803 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 28.2 m -77.22 -31.76 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.154 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 38' ' ' VAL . 7.6 p -58.58 138.95 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.729 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.598 ' H ' ' HE3' ' A' ' 9' ' ' TRP . 1.7 m-90 -75.4 46.66 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.67 45.37 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.177 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' HB1' HG12 ' A' ' 8' ' ' VAL . . . -147.22 173.44 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.86 0.362 . . . . 0.0 111.482 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.3 t -65.64 138.49 22.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.025 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 58.71 54.88 5.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.307 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -59.18 127.4 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.764 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 t -155.74 90.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.899 0.857 . . . . 0.0 109.764 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -42.61 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -88.01 48.6 1.66 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.4 t -60.61 -39.1 86.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.159 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -55.8 -39.25 71.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.142 0.496 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.24 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.622 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 6.3 tp10 -58.51 -44.38 89.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 79.2 m -61.78 -41.68 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.084 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -59.4 -40.74 87.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.386 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.622 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 28.7 mtt85 -72.34 -51.87 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.511 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.4 43.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.756 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 75.8 m-85 -132.12 154.25 49.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.7 -42.35 83.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.79 -157.33 12.0 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.56 147.4 15.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.537 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -140.14 131.57 26.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.193 0.52 . . . . 0.0 111.322 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 8.4 m -83.45 134.35 34.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.637 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.474 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -162.97 -148.82 5.49 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.147 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.511 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 49.4 m 62.88 -145.16 0.37 Allowed 'General case' 0 C--O 1.235 0.342 0 C-N-CA 122.356 0.262 . . . . 0.0 110.804 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.4 t80 -61.61 121.06 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.377 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 38' ' ' VAL . . . 48.19 32.63 3.16 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.905 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 10.5 p-10 41.93 35.04 0.49 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.042 0.937 . . . . 0.0 112.532 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.614 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.5 m -89.66 -37.22 9.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.652 0.263 . . . . 0.0 111.069 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.532 ' N ' HG22 ' A' ' 38' ' ' VAL . 7.0 m120 -70.79 122.29 19.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.219 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.803 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 49.9 t -102.26 125.86 49.09 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.487 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.781 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 72.5 m95 -109.4 123.24 49.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.444 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.589 ' SG ' HG23 ' A' ' 4' ' ' ILE . 79.5 m -74.92 133.9 41.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.169 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.53 121.48 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.355 179.535 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.443 0.163 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -149.26 133.1 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.812 HD12 ' HB3' ' A' ' 39' ' ' ASN . 13.3 tp -84.23 125.14 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.333 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.629 HG22 ' SG ' ' A' ' 42' ' ' CYS . 32.1 pt -99.86 -33.12 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.745 0.307 . . . . 0.0 110.976 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.37 -151.13 8.36 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.588 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.2 m -118.08 139.22 51.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -100.55 20.44 15.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.27 0.557 . . . . 0.0 110.196 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 13.0 p -120.31 136.14 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.093 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -66.79 133.65 50.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.335 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.49 -38.1 3.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.966 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.52 144.65 31.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.0 111.029 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 13' ' ' ASN . 15.0 p -62.48 148.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' N ' HG22 ' A' ' 12' ' ' VAL . 58.1 m-20 66.63 49.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.163 0.506 . . . . 0.0 110.387 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' SER . 62.1 t80 -70.6 136.93 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.213 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.7 t -150.99 112.51 4.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.065 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 t -79.43 -43.92 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.2 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -81.88 52.69 2.0 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.13 0.49 . . . . 0.0 110.545 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.12 -49.8 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.991 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.22 -53.56 55.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.98 79.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.208 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.41 -46.36 86.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.632 0.253 . . . . 0.0 111.052 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.26 -47.04 87.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 0.0 110.327 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.31 -36.29 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.447 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.08 -49.15 71.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.967 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -61.0 -48.14 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.544 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.51 39.6 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.344 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -118.42 157.95 26.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.9 -44.81 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.459 . . . . 0.0 111.059 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.95 -166.39 25.95 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.11 148.69 13.52 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.306 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -158.54 136.71 10.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.333 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.1 t -64.49 132.11 49.03 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.24 -130.65 1.35 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.707 -1.235 . . . . 0.0 113.474 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.69 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 8.7 t 66.53 -142.52 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 38' ' ' VAL . 22.7 t80 -94.74 113.2 24.94 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.724 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.04 43.64 11.14 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 52.83 61.47 3.17 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.657 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 18.1 m -111.78 -44.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.812 ' HB3' HD12 ' A' ' 3' ' ' LEU . 65.5 m-20 -101.02 138.97 37.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.082 0.468 . . . . 0.0 111.926 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.583 ' O ' HD11 ' A' ' 3' ' ' LEU . 7.7 t -91.02 105.97 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.575 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -100.13 124.22 45.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.0 111.488 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.629 ' SG ' HG22 ' A' ' 4' ' ' ILE . 65.4 m -90.1 138.23 31.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.277 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.83 128.84 36.59 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.871 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.664 0.268 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -155.98 129.72 8.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 39' ' ' ASN . 43.0 tp -91.32 129.18 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.349 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.669 HG21 ' SG ' ' A' ' 42' ' ' CYS . 27.5 pt -116.98 -21.19 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.443 ' O ' HD11 ' A' ' 3' ' ' LEU . . . 166.98 -142.47 7.61 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.297 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -141.19 136.3 31.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.112 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 19.6 p -76.27 -38.48 56.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 9' ' ' TRP . 4.4 p -68.96 137.71 23.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.525 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.412 ' N ' HG22 ' A' ' 8' ' ' VAL . 12.6 m95 -66.29 146.83 54.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.099 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.94 -27.63 6.55 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.86 44.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.743 0.306 . . . . 0.0 111.286 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.83 142.59 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.095 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 70.5 m-80 61.08 47.25 7.44 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.652 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -55.99 134.88 52.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 0.0 111.401 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 t -147.03 106.85 3.96 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.708 0.766 . . . . 0.0 109.478 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -66.29 -39.73 89.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.597 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 76.4 m-20 -83.98 53.24 2.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.833 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.89 -45.07 50.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.827 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -81.96 -53.42 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.385 0.612 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -55.11 -42.0 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.003 -0.999 . . . . 0.0 113.247 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 4.2 tp10 -59.57 -44.8 93.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.086 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.639 ' SG ' HD12 ' A' ' 4' ' ' ILE . 87.8 m -61.29 -42.31 98.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.41 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -59.26 -40.64 86.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.713 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 20' ' ' ALA . 5.2 mpt_? -66.23 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.224 0.535 . . . . 0.0 110.212 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 78.6 mtt-85 -83.69 15.22 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.385 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.65 51.42 8.14 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.444 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -132.47 158.56 41.74 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.84 -43.95 97.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 0.0 110.055 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.69 -153.11 9.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.82 144.35 9.14 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.377 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -159.53 145.5 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.875 0.369 . . . . 0.0 111.435 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 31.1 m -74.64 155.45 37.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.317 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.38 -142.95 4.19 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.894 -1.146 . . . . 0.0 113.135 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.2 m 59.88 -137.41 0.71 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.69 0.396 . . . . 0.0 110.069 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.62 124.17 21.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 -123.96 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' HA ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -144.13 38.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.054 0.454 . . . . 0.0 110.641 178.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 m -101.84 162.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.63 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.638 ' HB3' HD12 ' A' ' 3' ' ' LEU . 79.9 m-20 70.93 124.18 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.867 0.729 . . . . 0.0 112.08 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 7' ' ' CYS . 14.1 m -88.53 121.17 30.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.778 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -108.0 120.61 42.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.861 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.669 ' SG ' HG21 ' A' ' 4' ' ' ILE . 90.3 m -73.85 129.43 37.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.229 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -72.28 105.56 4.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.177 -178.764 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.601 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 72.8 m-20 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -131.24 119.88 22.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 40' ' ' CYS . 27.5 tp -75.79 131.4 39.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.036 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.532 HG23 ' SG ' ' A' ' 42' ' ' CYS . 39.8 pt -123.48 -18.09 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.462 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.97 -147.45 10.07 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.377 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -134.46 139.23 45.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 56.7 m -75.37 -27.43 59.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.471 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.611 HG13 ' HB ' ' A' ' 38' ' ' VAL . 6.8 p -70.96 133.68 31.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -69.32 139.93 54.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 -32.32 7.61 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.155 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.445 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -72.95 153.55 40.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.571 0.224 . . . . 0.0 110.755 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.52 139.29 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.282 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 61.94 54.62 2.77 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.23 0.538 . . . . 0.0 110.751 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -61.42 129.41 41.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.298 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -159.34 73.45 0.58 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.503 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 p -55.17 -47.2 75.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.81 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -79.09 58.52 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.0 110.352 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 27.1 t -49.63 -54.61 17.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.682 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.12 -49.21 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -71.89 -42.09 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -59.36 -44.62 92.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -60.28 -38.37 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 97.0 mttt -60.68 -38.61 85.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.408 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 15.9 mtt-85 -63.23 -36.35 83.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.201 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -80.29 8.69 6.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.967 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.28 12.98 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.954 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 43.2 m-85 -118.33 145.59 45.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 43' ' ' GLU . 13.8 pttp -53.17 -43.0 66.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.212 0.529 . . . . 0.0 111.221 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.39 -160.31 12.6 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.41 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.97 166.84 40.03 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -166.14 144.0 5.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.991 0.395 . . . . 0.0 110.675 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.5 m -74.08 133.78 42.89 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -138.24 -158.52 7.8 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.49 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m 66.95 -171.62 0.19 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.518 0.327 . . . . 0.0 110.23 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.75 129.72 41.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.635 0.255 . . . . 0.0 110.728 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.61 13.07 7.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.588 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 m120 50.79 41.49 26.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.344 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.611 ' HB ' HG13 ' A' ' 8' ' ' VAL . 29.7 m -83.87 -40.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.775 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' N ' HG23 ' A' ' 38' ' ' VAL . 6.7 m120 -71.63 133.07 45.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.772 0.32 . . . . 0.0 111.571 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' O ' HD12 ' A' ' 3' ' ' LEU . 8.7 t -91.93 114.22 26.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.601 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 89.5 m95 -111.92 121.28 44.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 0.0 111.378 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' HG23 ' A' ' 4' ' ' ILE . 97.4 m -80.33 137.28 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.398 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 40.9 mm-40 -69.16 124.65 24.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.148 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.04 -179.693 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.732 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 14.0 m-20 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -113.73 128.68 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.197 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.0 tp -85.76 118.43 25.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.532 HG22 ' SG ' ' A' ' 42' ' ' CYS . 2.7 pp -103.42 -17.27 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.65 -141.34 4.09 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.596 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -130.33 142.52 50.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.325 0.583 . . . . 0.0 110.906 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -89.37 -27.14 20.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.596 HG13 ' HB ' ' A' ' 38' ' ' VAL . 11.4 p -83.95 134.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.099 0.476 . . . . 0.0 110.969 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -68.08 128.89 38.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.66 -37.94 2.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.121 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.21 156.77 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.928 0.395 . . . . 0.0 111.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.36 143.08 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.471 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 63.44 46.18 4.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.94 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -67.43 135.19 52.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.439 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.488 HG23 ' HB2' ' A' ' 18' ' ' CYS . 4.4 t -147.58 108.8 4.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.766 0.793 . . . . 0.0 110.294 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.8 t -77.17 -37.96 52.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.208 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -95.13 45.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.709 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' HB2' HG23 ' A' ' 15' ' ' THR . 51.7 t -56.78 -34.53 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.654 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -54.11 -54.17 43.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -69.86 -37.61 76.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.321 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 31.5 tp10 -53.36 -48.81 68.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.798 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.8 m -63.15 -43.36 98.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.656 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 68.4 mttm -59.74 -41.91 91.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.833 0.349 . . . . 0.0 110.418 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 98.4 mtt180 -62.04 -33.79 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.75 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -81.64 12.44 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.82 44.7 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.06 -0.59 . . . . 0.0 113.551 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 51.3 m-85 -112.54 153.23 27.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -57.57 -43.43 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.081 0.467 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.23 -159.94 19.73 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -160.78 145.81 11.57 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -141.11 135.59 31.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.242 0.544 . . . . 0.0 112.0 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 82.0 m -79.05 128.21 32.98 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.572 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.64 -147.67 4.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.094 -1.051 . . . . 0.0 113.134 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m 66.61 -149.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.6 t80 -73.86 122.97 23.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.696 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.05 40.24 16.8 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.586 0.554 . . . . 0.0 112.289 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 7.6 p-10 41.33 35.8 0.45 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 113.032 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.596 ' HB ' HG13 ' A' ' 8' ' ' VAL . 33.9 m -76.16 -37.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 0.0 111.457 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.465 ' N ' HG22 ' A' ' 38' ' ' VAL . 72.1 m-20 -92.86 128.33 38.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.661 0.267 . . . . 0.0 111.093 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 21.3 t -100.83 122.28 43.15 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.732 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 73.1 m95 -110.06 126.16 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.924 0.392 . . . . 0.0 111.269 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' HG22 ' A' ' 4' ' ' ILE . 72.7 m -76.34 137.12 39.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.831 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.21 121.72 13.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.155 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -86.88 134.16 33.55 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 39' ' ' ASN . 21.3 tp -88.32 127.49 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.097 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.626 HG21 ' SG ' ' A' ' 42' ' ' CYS . 26.8 pt -104.91 -27.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.938 0.399 . . . . 0.0 110.814 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.84 -141.52 6.4 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.302 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 37.2 m -130.21 143.09 50.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.698 0.285 . . . . 0.0 110.558 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 p -99.05 32.7 2.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.335 0.588 . . . . 0.0 109.95 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.594 HG12 ' HB ' ' A' ' 38' ' ' VAL . 12.2 p -129.89 140.97 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.472 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -64.43 149.59 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.356 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.22 -41.22 3.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.974 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.44 140.39 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.58 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.84 143.81 14.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 65.76 45.02 2.71 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' SER . 4.5 t80 -71.36 113.22 8.17 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.483 0.659 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.401 HG23 ' HB2' ' A' ' 18' ' ' CYS . 2.9 t -116.8 96.96 5.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.525 178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -68.08 -50.97 51.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.965 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -86.53 48.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' HG23 ' A' ' 15' ' ' THR . 27.7 t -53.95 -49.08 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.72 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 48.3 t30 -54.98 -47.18 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.108 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . . . -65.58 -44.44 86.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -55.15 -48.65 73.41 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.078 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.6 m -62.27 -46.13 90.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.828 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 7.6 mtmp? -58.26 -40.25 81.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 -63.51 -36.34 83.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.448 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -81.74 18.29 1.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.93 -15.8 53.89 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.722 -0.752 . . . . 0.0 114.29 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 73.7 m-85 -70.26 155.21 40.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.445 0.623 . . . . 0.0 110.591 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.86 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.067 0.46 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.88 -157.72 20.6 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -148.57 146.01 15.06 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.626 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -141.33 132.65 26.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.141 0.496 . . . . 0.0 110.639 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 77.8 m -75.3 143.04 43.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.359 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -153.78 -141.24 3.22 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.008 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m 61.01 -147.98 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -84.19 122.51 28.95 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.104 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 28.0 17.67 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.571 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 52.78 39.28 28.46 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.594 ' HB ' HG12 ' A' ' 8' ' ' VAL . 29.1 m -82.67 -48.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.724 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.558 ' HB3' HD12 ' A' ' 3' ' ' LEU . 7.1 m120 -79.68 142.91 35.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.537 ' O ' HD11 ' A' ' 3' ' ' LEU . 14.8 t -112.13 125.72 54.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -108.26 127.86 54.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.73 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 4' ' ' ILE . 71.6 m -75.61 136.7 40.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.15 114.97 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.054 -179.324 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.593 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 71.2 m-20 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.746 0.308 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -87.84 120.52 29.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.512 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 39' ' ' ASN . 40.9 tp -86.8 124.39 32.99 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.447 HG21 ' SG ' ' A' ' 42' ' ' CYS . 43.0 pt -121.45 -8.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.592 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.62 -152.53 17.92 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 119.563 -1.303 . . . . 0.0 113.505 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 77.9 p -137.34 145.88 43.89 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.97 0.414 . . . . 0.0 111.181 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 m -95.87 41.24 1.1 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.39 135.87 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.29 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -64.25 143.87 57.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.529 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -31.25 3.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.163 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' HB2' ' OG ' ' A' ' 6' ' ' SER . . . -69.16 148.82 49.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.71 0.291 . . . . 0.0 110.733 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.46 138.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 61.98 48.22 5.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.682 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -65.92 130.34 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 t -158.48 99.28 1.59 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.393 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -73.81 -37.9 64.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.179 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -84.07 53.97 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.385 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.2 t -44.5 -48.61 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.21 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -55.78 -49.7 72.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -63.99 -43.22 96.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.21 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.621 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 9.2 tp10 -57.18 -45.3 83.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.227 0.536 . . . . 0.0 110.1 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 75.0 m -65.42 -42.52 92.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -61.11 -41.0 95.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.58 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 30.0 mmm180 -62.29 -42.4 99.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.621 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 32.7 mtt85 -67.06 -58.34 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.923 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.38 43.19 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.275 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.587 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 41.2 m-85 -124.02 153.25 41.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HG3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.73 -44.66 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.62 -164.72 22.74 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.69 149.52 15.89 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.923 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -146.99 142.38 27.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.1 0.476 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 37' ' ' ASN . 24.2 m -74.13 129.46 37.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 -140.74 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.757 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m 59.72 -139.42 0.67 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -67.57 105.01 1.73 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.03 -75.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.951 0.782 . . . . 0.0 111.477 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.7 p30 -171.57 36.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 109.889 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 m -73.4 -37.87 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 3' ' ' LEU . 81.8 m-20 -105.15 143.21 33.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.539 ' O ' HD11 ' A' ' 3' ' ' LEU . 7.2 t -89.75 118.48 29.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.38 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 82.7 m95 -116.37 120.92 40.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.0 110.985 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 4' ' ' ILE . 86.5 m -79.07 137.0 37.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.493 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB2' ' HG3' ' A' ' 28' ' ' LYS . 5.8 mm-40 -69.61 129.73 40.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.694 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.456 -179.709 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.809 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 2.0 m-20 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -96.26 126.16 41.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.02 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 39' ' ' ASN . 60.5 tp -93.1 128.94 39.21 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.461 HD11 ' SG ' ' A' ' 42' ' ' CYS . 1.9 pp -149.68 27.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.659 0.266 . . . . 0.0 111.653 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.96 151.81 6.91 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.024 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 m -90.27 133.12 35.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.943 0.401 . . . . 0.0 110.34 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 t -82.12 -31.13 30.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.284 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.38 135.59 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.832 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -69.22 126.48 29.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.62 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.93 -40.26 2.19 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.181 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.6 152.02 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.755 0.312 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG22 ' OD1' ' A' ' 13' ' ' ASN . 9.1 p -60.16 139.3 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.444 ' OD1' HG22 ' A' ' 12' ' ' VAL . 9.0 m120 67.16 47.52 1.33 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.77 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 41.7 t80 -65.09 136.58 56.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 t -154.09 101.54 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.649 0.737 . . . . 0.0 110.022 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.419 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 30.4 t -69.15 -42.64 75.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.202 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 68.7 m-80 -76.69 61.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.507 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.12 -47.66 74.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.349 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.24 -54.29 47.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.421 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . . . -63.05 -39.41 94.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.985 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.82 -49.83 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' A' ' 30' ' ' GLY . 70.8 m -60.87 -44.2 97.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.076 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' ' 20' ' ' ALA . 47.8 mtmt -61.82 -44.49 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.15 -42.25 99.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.74 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -65.08 -57.67 8.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.69 39.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.891 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 75.6 m-85 -132.96 153.68 51.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.12 -43.13 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.595 0.236 . . . . 0.0 111.505 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.13 32.47 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.203 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -154.3 155.63 26.32 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -151.51 138.2 18.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.735 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.52 136.36 44.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.925 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -155.77 -146.51 4.47 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.47 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.701 ' HB2' ' HE1' ' A' ' 41' ' ' TRP . 22.1 t 67.55 -155.78 0.21 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 42.7 t80 -69.85 125.98 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.436 0.16 . . . . 0.0 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.99 27.1 3.04 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 53.64 35.97 22.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.672 0.389 . . . . 0.0 111.966 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 35' ' ' PHE . 29.5 m -82.19 -21.72 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.519 ' HB3' HD13 ' A' ' 3' ' ' LEU . 68.8 m-20 -106.82 139.93 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.59 122.6 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.809 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 81.7 m95 -115.26 120.89 41.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.155 0.502 . . . . 0.0 111.996 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' HD11 ' A' ' 4' ' ' ILE . 73.4 m -82.38 134.1 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.08 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -73.41 113.22 10.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.845 -178.906 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 26.5 m-20 . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -124.17 129.94 51.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 40' ' ' CYS . 13.9 tp -82.08 127.08 32.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.829 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.534 HD13 ' SG ' ' A' ' 22' ' ' CYS . 45.3 pt -108.7 -29.62 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.51 -143.43 4.58 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -129.83 138.59 51.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 111.269 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 52.2 m -80.61 -31.31 36.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.715 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' CB ' ' A' ' 11' ' ' ALA . 3.5 p -65.72 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.57 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -63.28 139.97 58.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.022 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -29.19 7.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.605 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' CB ' HG13 ' A' ' 8' ' ' VAL . . . -68.45 155.15 40.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.38 . . . . 0.0 111.999 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG22 ' OD1' ' A' ' 13' ' ' ASN . 12.7 p -62.47 141.19 18.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' HG22 ' A' ' 12' ' ' VAL . 6.5 m120 60.05 50.94 6.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.517 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 51.7 t80 -59.65 131.04 49.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.017 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -150.43 95.89 2.31 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.993 0.901 . . . . 0.0 110.026 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 26.7 t -71.18 -35.43 71.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.111 -0.949 . . . . 0.0 108.902 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.795 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 79.0 m-20 -94.42 54.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.549 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -50.88 -53.22 34.34 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.475 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 35.6 t30 -64.5 -50.1 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.319 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.795 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -59.51 -44.85 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -60.08 -51.57 69.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.38 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.534 ' SG ' HD13 ' A' ' 4' ' ' ILE . 4.6 m -66.48 -28.59 68.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 55.4 mtpt -62.71 -40.63 97.76 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -68.79 -41.4 78.8 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.837 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.532 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 88.6 mtt-85 -56.87 -48.06 79.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.384 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.57 17.88 0.56 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.519 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 5.5 m-85 -90.54 165.57 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . 48.9 mtpt -66.07 -32.79 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.32 0.581 . . . . 0.0 109.673 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.97 -147.38 9.32 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.89 149.41 11.35 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.03 139.25 17.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.468 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 12.4 m -83.53 120.55 26.07 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.23 115.53 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.947 -1.12 . . . . 0.0 113.276 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p 166.86 -160.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.19 118.45 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 59.85 23.36 12.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.108 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 51.5 44.56 28.97 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.756 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.77 -36.18 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 6.3 m120 -81.26 131.95 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t -95.45 107.41 19.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.995 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 94.1 m95 -104.81 115.67 30.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.601 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 75.5 m -87.06 137.0 32.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.233 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 67.7 mm-40 -62.11 116.66 5.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.423 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.865 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.708 0.289 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 54.5 tptt -87.59 121.28 29.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.802 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 27.4 tp -80.51 127.75 32.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 110.235 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 pt -118.26 -19.96 5.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.719 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 39' ' ' ASN . . . 172.25 -131.71 2.21 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.446 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -157.78 144.41 17.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.872 0.336 . . . . 0.0 111.668 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 50.5 m -79.55 -32.84 42.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.14 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 36' ' ' ALA . 3.3 p -72.73 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.812 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -65.1 142.22 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.335 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.11 -31.31 6.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.393 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.489 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -66.3 144.05 56.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.554 0.216 . . . . 0.0 110.966 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.41 131.16 15.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.839 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.2 m120 66.39 57.17 0.74 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.475 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.51 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 91.7 t80 -64.56 138.82 58.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -141.74 118.9 11.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.316 0.579 . . . . 0.0 109.837 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.51 ' HG ' ' HE2' ' A' ' 14' ' ' TYR . 9.1 m -77.16 -47.2 20.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.744 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.651 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 46.3 m-20 -87.73 56.87 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.15 -55.6 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.426 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.63 -44.56 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.018 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.65 -40.69 92.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.678 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.397 . . . . 0.0 110.671 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 9.5 mtpm? -61.23 -41.33 96.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.762 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -62.22 -34.9 77.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.287 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -77.48 8.19 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.826 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 14.36 82.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.163 -0.541 . . . . 0.0 113.567 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -90.08 161.07 15.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -57.66 -43.78 85.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.427 0.632 . . . . 0.0 109.984 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.24 -164.28 32.34 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.04 143.2 12.59 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -136.05 146.73 47.4 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.08 151.61 46.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.49 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.1 -133.49 0.74 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.95 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.6 m -76.16 -139.7 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -44.89 134.44 5.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.64 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 57.99 28.77 16.7 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.373 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 4.3 m120 57.02 38.3 29.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.409 0.623 . . . . 0.0 110.021 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HA ' HG12 ' A' ' 8' ' ' VAL . 14.3 p -72.3 134.39 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.052 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 77.0 m-20 69.46 139.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.556 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.484 ' O ' HD12 ' A' ' 3' ' ' LEU . 1.6 m -108.17 114.79 28.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.865 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.2 m95 -107.34 118.24 36.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.43 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 96.5 m -79.19 131.87 36.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.123 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -76.24 113.16 13.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.701 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.33 179.581 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 3.6 m-20 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.629 0.252 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -119.64 125.82 49.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.491 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 40' ' ' CYS . 6.5 tp -82.01 118.94 23.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.2 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.419 HD11 ' SG ' ' A' ' 18' ' ' CYS . 35.0 pt -99.2 -31.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.081 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.59 -141.67 4.02 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.167 -1.015 . . . . 0.0 113.276 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -131.93 136.05 47.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 111.119 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.801 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 28.2 m -77.22 -31.76 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.154 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.449 ' HB ' HG12 ' A' ' 38' ' ' VAL . 7.6 p -58.58 138.95 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.729 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.643 ' HE3' ' H ' ' A' ' 9' ' ' TRP . 1.7 m-90 -75.4 46.66 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.67 45.37 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.177 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.22 173.44 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.86 0.362 . . . . 0.0 111.482 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.3 t -65.64 138.49 22.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.025 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 58.71 54.88 5.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.307 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -59.18 127.4 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.764 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 t -155.74 90.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.899 0.857 . . . . 0.0 109.764 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -42.61 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -88.01 48.6 1.66 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 4' ' ' ILE . 44.4 t -60.61 -39.1 86.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.159 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -55.8 -39.25 71.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.142 0.496 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.24 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.621 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 6.3 tp10 -58.51 -44.38 89.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 79.2 m -61.78 -41.68 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.084 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 33.4 mtmm -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -59.4 -40.74 87.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.386 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.621 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 28.7 mtt85 -72.34 -51.87 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.511 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.4 43.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.756 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 75.8 m-85 -132.12 154.25 49.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.7 -42.35 83.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.79 -157.33 12.0 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.56 147.4 15.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.537 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -140.14 131.57 26.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.193 0.52 . . . . 0.0 111.322 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 8.4 m -83.45 134.35 34.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.637 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -162.97 -148.82 5.49 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.147 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 49.4 m 62.88 -145.16 0.37 Allowed 'General case' 0 C--O 1.235 0.342 0 C-N-CA 122.356 0.262 . . . . 0.0 110.804 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.604 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.4 t80 -61.61 121.06 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.377 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.19 32.63 3.16 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.905 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 10.5 p-10 41.93 35.04 0.49 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.042 0.937 . . . . 0.0 112.532 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 35' ' ' PHE . 30.5 m -89.66 -37.22 9.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.652 0.263 . . . . 0.0 111.069 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 7.0 m120 -70.79 122.29 19.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.219 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.801 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 49.9 t -102.26 125.86 49.09 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.487 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 72.5 m95 -109.4 123.24 49.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.444 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.92 133.9 41.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.169 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.53 121.48 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.355 179.535 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.443 0.163 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -149.26 133.1 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 39' ' ' ASN . 13.3 tp -84.23 125.14 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.333 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -99.86 -33.12 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.745 0.307 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.37 -151.13 8.36 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.588 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.2 m -118.08 139.22 51.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -100.55 20.44 15.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.27 0.557 . . . . 0.0 110.196 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.668 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 13.0 p -120.31 136.14 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.093 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -66.79 133.65 50.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.335 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.49 -38.1 3.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.966 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.52 144.65 31.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.0 111.029 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -62.48 148.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 66.63 49.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.163 0.506 . . . . 0.0 110.387 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' SER . 62.1 t80 -70.6 136.93 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.213 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.7 t -150.99 112.51 4.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.065 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 t -79.43 -43.92 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.2 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -81.88 52.69 2.0 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.13 0.49 . . . . 0.0 110.545 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.12 -49.8 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.991 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.22 -53.56 55.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.98 79.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.208 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.41 -46.36 86.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.632 0.253 . . . . 0.0 111.052 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.26 -47.04 87.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 0.0 110.327 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.31 -36.29 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.447 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.08 -49.15 71.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.967 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -61.0 -48.14 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.544 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.51 39.6 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.344 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -118.42 157.95 26.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.9 -44.81 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.459 . . . . 0.0 111.059 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.95 -166.39 25.95 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.11 148.69 13.52 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.306 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -158.54 136.71 10.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.333 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.1 t -64.49 132.11 49.03 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.24 -130.65 1.35 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.707 -1.235 . . . . 0.0 113.474 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.718 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 8.7 t 66.53 -142.52 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -94.74 113.2 24.94 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.724 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.04 43.64 11.14 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 52.83 61.47 3.17 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.668 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 18.1 m -111.78 -44.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.718 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 65.5 m-20 -101.02 138.97 37.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.082 0.468 . . . . 0.0 111.926 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.519 ' O ' HD12 ' A' ' 3' ' ' LEU . 7.7 t -91.02 105.97 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.575 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -100.13 124.22 45.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.0 111.488 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 65.4 m -90.1 138.23 31.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.277 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.83 128.84 36.59 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.871 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.664 0.268 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -155.98 129.72 8.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 39' ' ' ASN . 43.0 tp -91.32 129.18 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.349 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.5 pt -116.98 -21.19 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 13' ' ' ASN . . . 166.98 -142.47 7.61 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.297 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -141.19 136.3 31.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.112 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 19.6 p -76.27 -38.48 56.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.431 HG11 HG12 ' A' ' 38' ' ' VAL . 4.4 p -68.96 137.71 23.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.525 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -66.29 146.83 54.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.099 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.94 -27.63 6.55 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.86 44.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.743 0.306 . . . . 0.0 111.286 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.83 142.59 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.095 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.478 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 70.5 m-80 61.08 47.25 7.44 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.652 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -55.99 134.88 52.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 0.0 111.401 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 t -147.03 106.85 3.96 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.708 0.766 . . . . 0.0 109.478 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -66.29 -39.73 89.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 76.4 m-20 -83.98 53.24 2.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.833 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.89 -45.07 50.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.827 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -81.96 -53.42 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.385 0.612 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -55.11 -42.0 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.003 -0.999 . . . . 0.0 113.247 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 4.2 tp10 -59.57 -44.8 93.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.086 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.29 -42.31 98.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.41 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -59.26 -40.64 86.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.713 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 20' ' ' ALA . 5.2 mpt_? -66.23 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.224 0.535 . . . . 0.0 110.212 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 78.6 mtt-85 -83.69 15.22 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.385 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.65 51.42 8.14 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.444 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -132.47 158.56 41.74 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.84 -43.95 97.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 0.0 110.055 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.69 -153.11 9.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.82 144.35 9.14 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.377 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -159.53 145.5 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.875 0.369 . . . . 0.0 111.435 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 31.1 m -74.64 155.45 37.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.317 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.38 -142.95 4.19 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.894 -1.146 . . . . 0.0 113.135 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.2 m 59.88 -137.41 0.71 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.69 0.396 . . . . 0.0 110.069 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.62 124.17 21.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 -123.96 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -144.13 38.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.054 0.454 . . . . 0.0 110.641 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.431 HG12 HG11 ' A' ' 8' ' ' VAL . 23.0 m -101.84 162.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.63 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 79.9 m-20 70.93 124.18 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.867 0.729 . . . . 0.0 112.08 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 7' ' ' CYS . 14.1 m -88.53 121.17 30.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.778 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -108.0 120.61 42.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.861 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.3 m -73.85 129.43 37.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.229 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -72.28 105.56 4.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.177 -178.764 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 72.8 m-20 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -131.24 119.88 22.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 40' ' ' CYS . 27.5 tp -75.79 131.4 39.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.036 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 pt -123.48 -18.09 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.462 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.97 -147.45 10.07 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.377 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -134.46 139.23 45.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 56.7 m -75.37 -27.43 59.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.471 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.96 133.68 31.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -69.32 139.93 54.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 -32.32 7.61 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.155 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.95 153.55 40.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.571 0.224 . . . . 0.0 110.755 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.52 139.29 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.282 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 61.94 54.62 2.77 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.23 0.538 . . . . 0.0 110.751 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -61.42 129.41 41.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.298 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -159.34 73.45 0.58 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.503 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 p -55.17 -47.2 75.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.81 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -79.09 58.52 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.0 110.352 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 27.1 t -49.63 -54.61 17.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.682 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.12 -49.21 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -71.89 -42.09 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -59.36 -44.62 92.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -60.28 -38.37 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 97.0 mttt -60.68 -38.61 85.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.408 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 15.9 mtt-85 -63.23 -36.35 83.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.201 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -80.29 8.69 6.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.967 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.28 12.98 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.954 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 43.2 m-85 -118.33 145.59 45.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 43' ' ' GLU . 13.8 pttp -53.17 -43.0 66.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.212 0.529 . . . . 0.0 111.221 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.39 -160.31 12.6 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.41 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.97 166.84 40.03 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -166.14 144.0 5.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.991 0.395 . . . . 0.0 110.675 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.5 m -74.08 133.78 42.89 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.584 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -138.24 -158.52 7.8 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.49 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m 66.95 -171.62 0.19 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.518 0.327 . . . . 0.0 110.23 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.75 129.72 41.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.635 0.255 . . . . 0.0 110.728 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.61 13.07 7.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.588 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 70.0 m-20 50.79 41.49 26.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.344 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.87 -40.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -71.63 133.07 45.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.772 0.32 . . . . 0.0 111.571 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.482 ' O ' HD12 ' A' ' 3' ' ' LEU . 8.7 t -91.93 114.22 26.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 89.5 m95 -111.92 121.28 44.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 0.0 111.378 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 97.4 m -80.33 137.28 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.398 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 40.9 mm-40 -69.16 124.65 24.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.148 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.04 -179.693 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.769 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 14.0 m-20 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -113.73 128.68 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.197 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 40' ' ' CYS . 21.0 tp -85.76 118.43 25.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.457 HG12 ' SG ' ' A' ' 42' ' ' CYS . 2.7 pp -103.42 -17.27 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.65 -141.34 4.09 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.596 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -130.33 142.52 50.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.325 0.583 . . . . 0.0 110.906 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -89.37 -27.14 20.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -83.95 134.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.099 0.476 . . . . 0.0 110.969 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -68.08 128.89 38.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.66 -37.94 2.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.121 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.21 156.77 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.928 0.395 . . . . 0.0 111.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.36 143.08 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.471 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 63.44 46.18 4.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.94 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -67.43 135.19 52.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.439 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.503 HG23 ' HB2' ' A' ' 18' ' ' CYS . 4.4 t -147.58 108.8 4.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.766 0.793 . . . . 0.0 110.294 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.8 t -77.17 -37.96 52.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.208 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -95.13 45.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.709 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB2' HG23 ' A' ' 15' ' ' THR . 51.7 t -56.78 -34.53 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.654 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -54.11 -54.17 43.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -69.86 -37.61 76.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.321 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 31.5 tp10 -53.36 -48.81 68.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.798 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.8 m -63.15 -43.36 98.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.656 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 68.4 mttm -59.74 -41.91 91.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.833 0.349 . . . . 0.0 110.418 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 98.4 mtt180 -62.04 -33.79 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.75 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -81.64 12.44 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.82 44.7 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.06 -0.59 . . . . 0.0 113.551 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 51.3 m-85 -112.54 153.23 27.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -57.57 -43.43 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.081 0.467 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.23 -159.94 19.73 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -160.78 145.81 11.57 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -141.11 135.59 31.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.242 0.544 . . . . 0.0 112.0 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 82.0 m -79.05 128.21 32.98 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.586 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.64 -147.67 4.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.094 -1.051 . . . . 0.0 113.134 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m 66.61 -149.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 38' ' ' VAL . 33.6 t80 -73.86 122.97 23.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.696 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.05 40.24 16.8 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.586 0.554 . . . . 0.0 112.289 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 7.6 p-10 41.33 35.8 0.45 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 113.032 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.9 m -76.16 -37.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 0.0 111.457 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -92.86 128.33 38.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.661 0.267 . . . . 0.0 111.093 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 21.3 t -100.83 122.28 43.15 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.769 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 73.1 m95 -110.06 126.16 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.924 0.392 . . . . 0.0 111.269 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 72.7 m -76.34 137.12 39.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.831 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.21 121.72 13.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.155 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -86.88 134.16 33.55 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 40' ' ' CYS . 21.3 tp -88.32 127.49 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.097 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.8 pt -104.91 -27.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.938 0.399 . . . . 0.0 110.814 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.84 -141.52 6.4 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.302 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 37.2 m -130.21 143.09 50.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.698 0.285 . . . . 0.0 110.558 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 p -99.05 32.7 2.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.335 0.588 . . . . 0.0 109.95 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.2 p -129.89 140.97 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.472 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -64.43 149.59 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.356 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.22 -41.22 3.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.974 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.44 140.39 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.58 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.84 143.81 14.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 65.76 45.02 2.71 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' SER . 4.5 t80 -71.36 113.22 8.17 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.483 0.659 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -116.8 96.96 5.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.525 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -68.08 -50.97 51.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.965 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -86.53 48.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -53.95 -49.08 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.72 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 48.3 t30 -54.98 -47.18 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.108 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . . . -65.58 -44.44 86.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -55.15 -48.65 73.41 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.078 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.6 m -62.27 -46.13 90.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.828 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 7.6 mtmp? -58.26 -40.25 81.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 -63.51 -36.34 83.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.448 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -81.74 18.29 1.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.93 -15.8 53.89 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.722 -0.752 . . . . 0.0 114.29 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 73.7 m-85 -70.26 155.21 40.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.445 0.623 . . . . 0.0 110.591 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.86 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.067 0.46 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.88 -157.72 20.6 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -148.57 146.01 15.06 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.626 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -141.33 132.65 26.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.141 0.496 . . . . 0.0 110.639 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 77.8 m -75.3 143.04 43.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.359 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -153.78 -141.24 3.22 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.008 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m 61.01 -147.98 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 38' ' ' VAL . 19.4 t80 -84.19 122.51 28.95 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.104 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 28.0 17.67 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.571 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 52.78 39.28 28.46 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 35' ' ' PHE . 29.1 m -82.67 -48.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.724 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.482 ' HB3' HD11 ' A' ' 3' ' ' LEU . 7.1 m120 -79.68 142.91 35.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 14.8 t -112.13 125.72 54.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -108.26 127.86 54.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.73 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 71.6 m -75.61 136.7 40.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.15 114.97 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.054 -179.324 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 71.2 m-20 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.746 0.308 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -87.84 120.52 29.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.512 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 40' ' ' CYS . 40.9 tp -86.8 124.39 32.99 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 pt -121.45 -8.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.592 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.62 -152.53 17.92 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 119.563 -1.303 . . . . 0.0 113.505 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 77.9 p -137.34 145.88 43.89 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.97 0.414 . . . . 0.0 111.181 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 m -95.87 41.24 1.1 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.39 135.87 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.29 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -64.25 143.87 57.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.529 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -31.25 3.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.163 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.16 148.82 49.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.71 0.291 . . . . 0.0 110.733 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.46 138.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 61.98 48.22 5.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.682 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -65.92 130.34 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 t -158.48 99.28 1.59 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.393 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -73.81 -37.9 64.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.179 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.07 53.97 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.385 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.2 t -44.5 -48.61 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.21 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -55.78 -49.7 72.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -63.99 -43.22 96.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.21 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.63 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 9.2 tp10 -57.18 -45.3 83.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.227 0.536 . . . . 0.0 110.1 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 75.0 m -65.42 -42.52 92.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -61.11 -41.0 95.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.58 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 30.0 mmm180 -62.29 -42.4 99.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.63 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 32.7 mtt85 -67.06 -58.34 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.923 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.38 43.19 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.275 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.612 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 41.2 m-85 -124.02 153.25 41.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HG3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.73 -44.66 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.62 -164.72 22.74 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.69 149.52 15.89 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.923 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -146.99 142.38 27.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.1 0.476 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 37' ' ' ASN . 24.2 m -74.13 129.46 37.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 -140.74 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.757 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m 59.72 -139.42 0.67 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -67.57 105.01 1.73 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.03 -75.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.951 0.782 . . . . 0.0 111.477 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.7 p30 -171.57 36.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 109.889 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 m -73.4 -37.87 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.506 ' HB3' HD11 ' A' ' 3' ' ' LEU . 81.8 m-20 -105.15 143.21 33.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' O ' HD12 ' A' ' 3' ' ' LEU . 7.2 t -89.75 118.48 29.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.38 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 82.7 m95 -116.37 120.92 40.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.0 110.985 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.07 137.0 37.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.493 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HB2' ' HG3' ' A' ' 28' ' ' LYS . 5.8 mm-40 -69.61 129.73 40.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.694 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.456 -179.709 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.809 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 2.0 m-20 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -96.26 126.16 41.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.02 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 39' ' ' ASN . 60.5 tp -93.1 128.94 39.21 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.461 HD11 ' SG ' ' A' ' 42' ' ' CYS . 1.9 pp -149.68 27.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.659 0.266 . . . . 0.0 111.653 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.96 151.81 6.91 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.024 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 m -90.27 133.12 35.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.943 0.401 . . . . 0.0 110.34 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 t -82.12 -31.13 30.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.284 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.38 135.59 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.832 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -69.22 126.48 29.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.62 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.93 -40.26 2.19 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.181 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.6 152.02 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.755 0.312 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG22 ' OD1' ' A' ' 13' ' ' ASN . 9.1 p -60.16 139.3 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.444 ' OD1' HG22 ' A' ' 12' ' ' VAL . 9.0 m120 67.16 47.52 1.33 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.77 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 41.7 t80 -65.09 136.58 56.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 t -154.09 101.54 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.649 0.737 . . . . 0.0 110.022 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.419 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 30.4 t -69.15 -42.64 75.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.202 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 68.7 m-80 -76.69 61.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.507 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.12 -47.66 74.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.349 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.24 -54.29 47.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.421 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . . . -63.05 -39.41 94.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.985 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.82 -49.83 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' A' ' 30' ' ' GLY . 70.8 m -60.87 -44.2 97.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.076 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' ' 20' ' ' ALA . 47.8 mtmt -61.82 -44.49 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.15 -42.25 99.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.74 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -65.08 -57.67 8.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.69 39.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.891 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 75.6 m-85 -132.96 153.68 51.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.12 -43.13 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.595 0.236 . . . . 0.0 111.505 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.13 32.47 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.203 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -154.3 155.63 26.32 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -151.51 138.2 18.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.735 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.52 136.36 44.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.925 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -155.77 -146.51 4.47 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.47 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.701 ' HB2' ' HE1' ' A' ' 41' ' ' TRP . 22.1 t 67.55 -155.78 0.21 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 42.7 t80 -69.85 125.98 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.436 0.16 . . . . 0.0 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.99 27.1 3.04 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 53.64 35.97 22.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.672 0.389 . . . . 0.0 111.966 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 35' ' ' PHE . 29.5 m -82.19 -21.72 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.519 ' HB3' HD13 ' A' ' 3' ' ' LEU . 68.8 m-20 -106.82 139.93 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.59 122.6 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.809 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 81.7 m95 -115.26 120.89 41.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.155 0.502 . . . . 0.0 111.996 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' HD11 ' A' ' 4' ' ' ILE . 73.4 m -82.38 134.1 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.08 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -73.41 113.22 10.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.845 -178.906 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 26.5 m-20 . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -124.17 129.94 51.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 40' ' ' CYS . 13.9 tp -82.08 127.08 32.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.829 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.534 HD13 ' SG ' ' A' ' 22' ' ' CYS . 45.3 pt -108.7 -29.62 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.51 -143.43 4.58 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -129.83 138.59 51.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 111.269 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 52.2 m -80.61 -31.31 36.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.715 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' CB ' ' A' ' 11' ' ' ALA . 3.5 p -65.72 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.57 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -63.28 139.97 58.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.022 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -29.19 7.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.605 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' CB ' HG13 ' A' ' 8' ' ' VAL . . . -68.45 155.15 40.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.38 . . . . 0.0 111.999 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG22 ' OD1' ' A' ' 13' ' ' ASN . 12.7 p -62.47 141.19 18.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' HG22 ' A' ' 12' ' ' VAL . 6.5 m120 60.05 50.94 6.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.517 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 51.7 t80 -59.65 131.04 49.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.017 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -150.43 95.89 2.31 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.993 0.901 . . . . 0.0 110.026 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 26.7 t -71.18 -35.43 71.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.111 -0.949 . . . . 0.0 108.902 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.795 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 79.0 m-20 -94.42 54.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.549 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -50.88 -53.22 34.34 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.475 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 35.6 t30 -64.5 -50.1 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.319 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.795 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -59.51 -44.85 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -60.08 -51.57 69.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.38 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.534 ' SG ' HD13 ' A' ' 4' ' ' ILE . 4.6 m -66.48 -28.59 68.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 55.4 mtpt -62.71 -40.63 97.76 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -68.79 -41.4 78.8 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.837 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.532 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 88.6 mtt-85 -56.87 -48.06 79.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.384 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.57 17.88 0.56 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.519 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 5.5 m-85 -90.54 165.57 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . 48.9 mtpt -66.07 -32.79 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.32 0.581 . . . . 0.0 109.673 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.97 -147.38 9.32 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.89 149.41 11.35 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.03 139.25 17.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.468 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 12.4 m -83.53 120.55 26.07 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.23 115.53 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.947 -1.12 . . . . 0.0 113.276 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p 166.86 -160.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.19 118.45 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 59.85 23.36 12.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.108 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 51.5 44.56 28.97 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.756 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.77 -36.18 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 6.3 m120 -81.26 131.95 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t -95.45 107.41 19.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.995 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 94.1 m95 -104.81 115.67 30.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.601 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 75.5 m -87.06 137.0 32.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.233 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 67.7 mm-40 -62.11 116.66 5.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.423 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.865 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.708 0.289 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 54.5 tptt -87.59 121.28 29.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.802 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 27.4 tp -80.51 127.75 32.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 110.235 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 pt -118.26 -19.96 5.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.719 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 39' ' ' ASN . . . 172.25 -131.71 2.21 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.446 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -157.78 144.41 17.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.872 0.336 . . . . 0.0 111.668 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 50.5 m -79.55 -32.84 42.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.14 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 36' ' ' ALA . 3.3 p -72.73 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.812 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -65.1 142.22 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.335 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.11 -31.31 6.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.393 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.489 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -66.3 144.05 56.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.554 0.216 . . . . 0.0 110.966 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.41 131.16 15.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.839 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.2 m120 66.39 57.17 0.74 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.475 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.51 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 91.7 t80 -64.56 138.82 58.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -141.74 118.9 11.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.316 0.579 . . . . 0.0 109.837 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.51 ' HG ' ' HE2' ' A' ' 14' ' ' TYR . 9.1 m -77.16 -47.2 20.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.744 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.651 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 46.3 m-20 -87.73 56.87 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.15 -55.6 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.426 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.63 -44.56 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.018 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.65 -40.69 92.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.678 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.397 . . . . 0.0 110.671 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 9.5 mtpm? -61.23 -41.33 96.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.762 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -62.22 -34.9 77.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.287 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -77.48 8.19 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.826 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 14.36 82.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.163 -0.541 . . . . 0.0 113.567 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -90.08 161.07 15.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -57.66 -43.78 85.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.427 0.632 . . . . 0.0 109.984 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.24 -164.28 32.34 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.04 143.2 12.59 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -136.05 146.73 47.4 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.08 151.61 46.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.49 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.1 -133.49 0.74 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.95 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.6 m -76.16 -139.7 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -44.89 134.44 5.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.64 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 57.99 28.77 16.7 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.373 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 4.3 m120 57.02 38.3 29.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.409 0.623 . . . . 0.0 110.021 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HA ' HG12 ' A' ' 8' ' ' VAL . 14.3 p -72.3 134.39 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.052 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 77.0 m-20 69.46 139.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.556 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.484 ' O ' HD12 ' A' ' 3' ' ' LEU . 1.6 m -108.17 114.79 28.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.865 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.2 m95 -107.34 118.24 36.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.43 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 96.5 m -79.19 131.87 36.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.123 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -76.24 113.16 13.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.701 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.33 179.581 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 3.6 m-20 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.629 0.252 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -119.64 125.82 49.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.491 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 40' ' ' CYS . 6.5 tp -82.01 118.94 23.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.2 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.419 HD11 ' SG ' ' A' ' 18' ' ' CYS . 35.0 pt -99.2 -31.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.081 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.59 -141.67 4.02 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.167 -1.015 . . . . 0.0 113.276 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -131.93 136.05 47.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 111.119 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.801 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 28.2 m -77.22 -31.76 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.154 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' HB ' HG12 ' A' ' 38' ' ' VAL . 7.6 p -58.58 138.95 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.729 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.643 ' HE3' ' H ' ' A' ' 9' ' ' TRP . 1.7 m-90 -75.4 46.66 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.67 45.37 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.177 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.22 173.44 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.86 0.362 . . . . 0.0 111.482 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.3 t -65.64 138.49 22.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.025 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 58.71 54.88 5.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.307 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -59.18 127.4 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.764 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 t -155.74 90.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.899 0.857 . . . . 0.0 109.764 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -42.61 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -88.01 48.6 1.66 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 4' ' ' ILE . 44.4 t -60.61 -39.1 86.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.159 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -55.8 -39.25 71.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.142 0.496 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.24 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.621 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 6.3 tp10 -58.51 -44.38 89.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 79.2 m -61.78 -41.68 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.084 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 33.4 mtmm -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -59.4 -40.74 87.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.386 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.621 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 28.7 mtt85 -72.34 -51.87 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.511 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.4 43.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.756 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 75.8 m-85 -132.12 154.25 49.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.7 -42.35 83.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.79 -157.33 12.0 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.56 147.4 15.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.537 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -140.14 131.57 26.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.193 0.52 . . . . 0.0 111.322 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 8.4 m -83.45 134.35 34.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.637 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -162.97 -148.82 5.49 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.147 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 49.4 m 62.88 -145.16 0.37 Allowed 'General case' 0 C--O 1.235 0.342 0 C-N-CA 122.356 0.262 . . . . 0.0 110.804 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.604 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.4 t80 -61.61 121.06 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.377 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.19 32.63 3.16 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.905 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 10.5 p-10 41.93 35.04 0.49 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.042 0.937 . . . . 0.0 112.532 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 35' ' ' PHE . 30.5 m -89.66 -37.22 9.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.652 0.263 . . . . 0.0 111.069 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 7.0 m120 -70.79 122.29 19.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.219 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.801 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 49.9 t -102.26 125.86 49.09 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.487 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 72.5 m95 -109.4 123.24 49.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.444 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.92 133.9 41.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.169 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.53 121.48 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.355 179.535 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.443 0.163 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -149.26 133.1 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 39' ' ' ASN . 13.3 tp -84.23 125.14 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.333 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -99.86 -33.12 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.745 0.307 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.37 -151.13 8.36 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.588 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.2 m -118.08 139.22 51.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -100.55 20.44 15.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.27 0.557 . . . . 0.0 110.196 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.668 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 13.0 p -120.31 136.14 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.093 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -66.79 133.65 50.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.335 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.49 -38.1 3.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.966 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.52 144.65 31.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.0 111.029 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -62.48 148.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 66.63 49.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.163 0.506 . . . . 0.0 110.387 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' SER . 62.1 t80 -70.6 136.93 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.213 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.7 t -150.99 112.51 4.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.065 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 t -79.43 -43.92 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.2 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -81.88 52.69 2.0 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.13 0.49 . . . . 0.0 110.545 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.12 -49.8 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.991 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.22 -53.56 55.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.98 79.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.208 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.41 -46.36 86.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.632 0.253 . . . . 0.0 111.052 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.26 -47.04 87.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 0.0 110.327 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.31 -36.29 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.447 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.08 -49.15 71.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.967 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -61.0 -48.14 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.544 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.51 39.6 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.344 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -118.42 157.95 26.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.9 -44.81 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.459 . . . . 0.0 111.059 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.95 -166.39 25.95 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.11 148.69 13.52 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.306 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -158.54 136.71 10.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.333 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.1 t -64.49 132.11 49.03 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.24 -130.65 1.35 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.707 -1.235 . . . . 0.0 113.474 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.718 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 8.7 t 66.53 -142.52 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -94.74 113.2 24.94 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.724 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.04 43.64 11.14 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 52.83 61.47 3.17 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.668 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 18.1 m -111.78 -44.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.718 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 65.5 m-20 -101.02 138.97 37.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.082 0.468 . . . . 0.0 111.926 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.519 ' O ' HD12 ' A' ' 3' ' ' LEU . 7.7 t -91.02 105.97 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.575 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -100.13 124.22 45.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.0 111.488 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 65.4 m -90.1 138.23 31.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.277 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.83 128.84 36.59 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.871 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.664 0.268 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -155.98 129.72 8.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 39' ' ' ASN . 43.0 tp -91.32 129.18 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.349 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.5 pt -116.98 -21.19 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 13' ' ' ASN . . . 166.98 -142.47 7.61 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.297 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -141.19 136.3 31.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.112 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 19.6 p -76.27 -38.48 56.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG11 HG12 ' A' ' 38' ' ' VAL . 4.4 p -68.96 137.71 23.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.525 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -66.29 146.83 54.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.099 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.94 -27.63 6.55 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.86 44.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.743 0.306 . . . . 0.0 111.286 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.83 142.59 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.095 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 70.5 m-80 61.08 47.25 7.44 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.652 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -55.99 134.88 52.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 0.0 111.401 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 t -147.03 106.85 3.96 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.708 0.766 . . . . 0.0 109.478 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -66.29 -39.73 89.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 76.4 m-20 -83.98 53.24 2.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.833 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.89 -45.07 50.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.827 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -81.96 -53.42 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.385 0.612 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -55.11 -42.0 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.003 -0.999 . . . . 0.0 113.247 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 4.2 tp10 -59.57 -44.8 93.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.086 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.29 -42.31 98.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.41 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -59.26 -40.64 86.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.713 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 20' ' ' ALA . 5.2 mpt_? -66.23 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.224 0.535 . . . . 0.0 110.212 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 78.6 mtt-85 -83.69 15.22 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.385 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.65 51.42 8.14 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.444 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -132.47 158.56 41.74 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.84 -43.95 97.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 0.0 110.055 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.69 -153.11 9.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.82 144.35 9.14 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.377 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -159.53 145.5 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.875 0.369 . . . . 0.0 111.435 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 31.1 m -74.64 155.45 37.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.317 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.38 -142.95 4.19 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.894 -1.146 . . . . 0.0 113.135 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.2 m 59.88 -137.41 0.71 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.69 0.396 . . . . 0.0 110.069 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.62 124.17 21.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 -123.96 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -144.13 38.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.054 0.454 . . . . 0.0 110.641 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.431 HG12 HG11 ' A' ' 8' ' ' VAL . 23.0 m -101.84 162.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.63 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 79.9 m-20 70.93 124.18 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.867 0.729 . . . . 0.0 112.08 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 7' ' ' CYS . 14.1 m -88.53 121.17 30.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.778 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -108.0 120.61 42.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.861 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.3 m -73.85 129.43 37.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.229 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -72.28 105.56 4.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.177 -178.764 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 72.8 m-20 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -131.24 119.88 22.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 40' ' ' CYS . 27.5 tp -75.79 131.4 39.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.036 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 pt -123.48 -18.09 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.462 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.97 -147.45 10.07 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.377 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -134.46 139.23 45.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 56.7 m -75.37 -27.43 59.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.471 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.96 133.68 31.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -69.32 139.93 54.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 -32.32 7.61 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.155 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.95 153.55 40.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.571 0.224 . . . . 0.0 110.755 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.52 139.29 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.282 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 61.94 54.62 2.77 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.23 0.538 . . . . 0.0 110.751 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -61.42 129.41 41.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.298 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -159.34 73.45 0.58 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.503 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 p -55.17 -47.2 75.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.81 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -79.09 58.52 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.0 110.352 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 27.1 t -49.63 -54.61 17.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.682 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.12 -49.21 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -71.89 -42.09 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -59.36 -44.62 92.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -60.28 -38.37 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 97.0 mttt -60.68 -38.61 85.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.408 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 15.9 mtt-85 -63.23 -36.35 83.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.201 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -80.29 8.69 6.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.967 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.28 12.98 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.954 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 43.2 m-85 -118.33 145.59 45.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 43' ' ' GLU . 13.8 pttp -53.17 -43.0 66.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.212 0.529 . . . . 0.0 111.221 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.39 -160.31 12.6 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.41 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.97 166.84 40.03 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -166.14 144.0 5.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.991 0.395 . . . . 0.0 110.675 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.5 m -74.08 133.78 42.89 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.584 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -138.24 -158.52 7.8 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.49 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m 66.95 -171.62 0.19 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.518 0.327 . . . . 0.0 110.23 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.75 129.72 41.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.635 0.255 . . . . 0.0 110.728 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.61 13.07 7.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.588 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 70.0 m-20 50.79 41.49 26.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.344 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.87 -40.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -71.63 133.07 45.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.772 0.32 . . . . 0.0 111.571 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' O ' HD12 ' A' ' 3' ' ' LEU . 8.7 t -91.93 114.22 26.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 89.5 m95 -111.92 121.28 44.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 0.0 111.378 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 97.4 m -80.33 137.28 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.398 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 40.9 mm-40 -69.16 124.65 24.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.148 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.04 -179.693 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.769 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 14.0 m-20 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -113.73 128.68 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.197 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 40' ' ' CYS . 21.0 tp -85.76 118.43 25.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.457 HG12 ' SG ' ' A' ' 42' ' ' CYS . 2.7 pp -103.42 -17.27 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.65 -141.34 4.09 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.596 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -130.33 142.52 50.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.325 0.583 . . . . 0.0 110.906 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -89.37 -27.14 20.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -83.95 134.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.099 0.476 . . . . 0.0 110.969 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -68.08 128.89 38.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.66 -37.94 2.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.121 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.21 156.77 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.928 0.395 . . . . 0.0 111.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.36 143.08 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.471 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 63.44 46.18 4.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.94 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -67.43 135.19 52.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.439 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.503 HG23 ' HB2' ' A' ' 18' ' ' CYS . 4.4 t -147.58 108.8 4.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.766 0.793 . . . . 0.0 110.294 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.8 t -77.17 -37.96 52.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.208 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -95.13 45.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.709 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB2' HG23 ' A' ' 15' ' ' THR . 51.7 t -56.78 -34.53 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.654 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -54.11 -54.17 43.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -69.86 -37.61 76.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.321 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 31.5 tp10 -53.36 -48.81 68.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.798 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.8 m -63.15 -43.36 98.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.656 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 68.4 mttm -59.74 -41.91 91.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.833 0.349 . . . . 0.0 110.418 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 98.4 mtt180 -62.04 -33.79 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.75 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -81.64 12.44 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.82 44.7 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.06 -0.59 . . . . 0.0 113.551 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 51.3 m-85 -112.54 153.23 27.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -57.57 -43.43 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.081 0.467 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.23 -159.94 19.73 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -160.78 145.81 11.57 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -141.11 135.59 31.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.242 0.544 . . . . 0.0 112.0 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 82.0 m -79.05 128.21 32.98 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.586 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.64 -147.67 4.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.094 -1.051 . . . . 0.0 113.134 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m 66.61 -149.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 38' ' ' VAL . 33.6 t80 -73.86 122.97 23.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.696 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.05 40.24 16.8 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.586 0.554 . . . . 0.0 112.289 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 7.6 p-10 41.33 35.8 0.45 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 113.032 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.9 m -76.16 -37.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 0.0 111.457 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -92.86 128.33 38.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.661 0.267 . . . . 0.0 111.093 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 21.3 t -100.83 122.28 43.15 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.769 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 73.1 m95 -110.06 126.16 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.924 0.392 . . . . 0.0 111.269 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 72.7 m -76.34 137.12 39.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.831 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.21 121.72 13.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.155 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -86.88 134.16 33.55 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 40' ' ' CYS . 21.3 tp -88.32 127.49 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.097 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.8 pt -104.91 -27.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.938 0.399 . . . . 0.0 110.814 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.84 -141.52 6.4 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.302 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 37.2 m -130.21 143.09 50.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.698 0.285 . . . . 0.0 110.558 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 p -99.05 32.7 2.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.335 0.588 . . . . 0.0 109.95 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.2 p -129.89 140.97 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.472 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -64.43 149.59 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.356 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.22 -41.22 3.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.974 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.44 140.39 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.58 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.84 143.81 14.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 65.76 45.02 2.71 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' SER . 4.5 t80 -71.36 113.22 8.17 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.483 0.659 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -116.8 96.96 5.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.525 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -68.08 -50.97 51.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.965 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -86.53 48.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -53.95 -49.08 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.72 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 48.3 t30 -54.98 -47.18 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.108 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . . . -65.58 -44.44 86.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -55.15 -48.65 73.41 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.078 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.6 m -62.27 -46.13 90.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.828 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 7.6 mtmp? -58.26 -40.25 81.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 -63.51 -36.34 83.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.448 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -81.74 18.29 1.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.93 -15.8 53.89 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.722 -0.752 . . . . 0.0 114.29 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 73.7 m-85 -70.26 155.21 40.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.445 0.623 . . . . 0.0 110.591 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.86 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.067 0.46 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.88 -157.72 20.6 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -148.57 146.01 15.06 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.626 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -141.33 132.65 26.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.141 0.496 . . . . 0.0 110.639 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 77.8 m -75.3 143.04 43.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.359 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -153.78 -141.24 3.22 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.008 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m 61.01 -147.98 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 38' ' ' VAL . 19.4 t80 -84.19 122.51 28.95 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.104 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 28.0 17.67 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.571 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 52.78 39.28 28.46 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 35' ' ' PHE . 29.1 m -82.67 -48.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.724 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.482 ' HB3' HD11 ' A' ' 3' ' ' LEU . 7.1 m120 -79.68 142.91 35.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 14.8 t -112.13 125.72 54.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -108.26 127.86 54.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.73 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 71.6 m -75.61 136.7 40.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.15 114.97 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.054 -179.324 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 71.2 m-20 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.746 0.308 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -87.84 120.52 29.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.512 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 40' ' ' CYS . 40.9 tp -86.8 124.39 32.99 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 pt -121.45 -8.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.592 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.62 -152.53 17.92 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 119.563 -1.303 . . . . 0.0 113.505 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 77.9 p -137.34 145.88 43.89 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.97 0.414 . . . . 0.0 111.181 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 m -95.87 41.24 1.1 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.39 135.87 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.29 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -64.25 143.87 57.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.529 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -31.25 3.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.163 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.16 148.82 49.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.71 0.291 . . . . 0.0 110.733 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.46 138.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 61.98 48.22 5.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.682 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -65.92 130.34 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 t -158.48 99.28 1.59 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.393 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -73.81 -37.9 64.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.179 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.07 53.97 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.385 177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.2 t -44.5 -48.61 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.21 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -55.78 -49.7 72.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -63.99 -43.22 96.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.21 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.63 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 9.2 tp10 -57.18 -45.3 83.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.227 0.536 . . . . 0.0 110.1 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 75.0 m -65.42 -42.52 92.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -61.11 -41.0 95.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.58 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 30.0 mmm180 -62.29 -42.4 99.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.63 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 32.7 mtt85 -67.06 -58.34 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.923 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.38 43.19 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.275 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.612 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 41.2 m-85 -124.02 153.25 41.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HG3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.73 -44.66 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.62 -164.72 22.74 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.69 149.52 15.89 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.923 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -146.99 142.38 27.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.1 0.476 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 37' ' ' ASN . 24.2 m -74.13 129.46 37.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 -140.74 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.757 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m 59.72 -139.42 0.67 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -67.57 105.01 1.73 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.03 -75.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.951 0.782 . . . . 0.0 111.477 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.7 p30 -171.57 36.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 109.889 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 m -73.4 -37.87 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.506 ' HB3' HD11 ' A' ' 3' ' ' LEU . 81.8 m-20 -105.15 143.21 33.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' O ' HD12 ' A' ' 3' ' ' LEU . 7.2 t -89.75 118.48 29.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.38 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 82.7 m95 -116.37 120.92 40.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.0 110.985 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.07 137.0 37.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.493 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HB2' ' HG3' ' A' ' 28' ' ' LYS . 5.8 mm-40 -69.61 129.73 40.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.694 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.456 -179.709 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.809 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 2.0 m-20 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -96.26 126.16 41.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.02 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 39' ' ' ASN . 60.5 tp -93.1 128.94 39.21 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.461 HD11 ' SG ' ' A' ' 42' ' ' CYS . 1.9 pp -149.68 27.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.659 0.266 . . . . 0.0 111.653 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.96 151.81 6.91 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.024 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 m -90.27 133.12 35.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.943 0.401 . . . . 0.0 110.34 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 t -82.12 -31.13 30.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.284 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.38 135.59 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.832 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -69.22 126.48 29.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.62 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.93 -40.26 2.19 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.181 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.6 152.02 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.755 0.312 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG22 ' OD1' ' A' ' 13' ' ' ASN . 9.1 p -60.16 139.3 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.444 ' OD1' HG22 ' A' ' 12' ' ' VAL . 9.0 m120 67.16 47.52 1.33 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.77 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 41.7 t80 -65.09 136.58 56.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 t -154.09 101.54 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.649 0.737 . . . . 0.0 110.022 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.419 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 30.4 t -69.15 -42.64 75.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.202 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 68.7 m-80 -76.69 61.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.507 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.12 -47.66 74.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.349 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.24 -54.29 47.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.421 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . . . -63.05 -39.41 94.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.985 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.82 -49.83 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' A' ' 30' ' ' GLY . 70.8 m -60.87 -44.2 97.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.076 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' ' 20' ' ' ALA . 47.8 mtmt -61.82 -44.49 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.15 -42.25 99.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.74 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -65.08 -57.67 8.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.69 39.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.891 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 75.6 m-85 -132.96 153.68 51.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.12 -43.13 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.595 0.236 . . . . 0.0 111.505 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.13 32.47 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.203 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -154.3 155.63 26.32 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -151.51 138.2 18.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.735 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.52 136.36 44.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.925 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -155.77 -146.51 4.47 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.47 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.701 ' HB2' ' HE1' ' A' ' 41' ' ' TRP . 22.1 t 67.55 -155.78 0.21 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 42.7 t80 -69.85 125.98 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.436 0.16 . . . . 0.0 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.99 27.1 3.04 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 53.64 35.97 22.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.672 0.389 . . . . 0.0 111.966 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 35' ' ' PHE . 29.5 m -82.19 -21.72 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.519 ' HB3' HD13 ' A' ' 3' ' ' LEU . 68.8 m-20 -106.82 139.93 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.59 122.6 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.809 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 81.7 m95 -115.26 120.89 41.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.155 0.502 . . . . 0.0 111.996 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' HD11 ' A' ' 4' ' ' ILE . 73.4 m -82.38 134.1 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.08 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -73.41 113.22 10.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.845 -178.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 26.5 m-20 . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -124.17 129.94 51.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 40' ' ' CYS . 13.9 tp -82.08 127.08 32.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.829 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.534 HD13 ' SG ' ' A' ' 22' ' ' CYS . 45.3 pt -108.7 -29.62 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.51 -143.43 4.58 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -129.83 138.59 51.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 111.269 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 52.2 m -80.61 -31.31 36.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.715 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' CB ' ' A' ' 11' ' ' ALA . 3.5 p -65.72 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.57 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -63.28 139.97 58.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.022 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -29.19 7.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.605 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' CB ' HG13 ' A' ' 8' ' ' VAL . . . -68.45 155.15 40.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.38 . . . . 0.0 111.999 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG22 ' OD1' ' A' ' 13' ' ' ASN . 12.7 p -62.47 141.19 18.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' HG22 ' A' ' 12' ' ' VAL . 6.5 m120 60.05 50.94 6.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.517 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 51.7 t80 -59.65 131.04 49.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.017 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -150.43 95.89 2.31 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.993 0.901 . . . . 0.0 110.026 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 26.7 t -71.18 -35.43 71.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.111 -0.949 . . . . 0.0 108.902 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.795 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 79.0 m-20 -94.42 54.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.549 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -50.88 -53.22 34.34 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.475 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 35.6 t30 -64.5 -50.1 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.319 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.795 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -59.51 -44.85 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -60.08 -51.57 69.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.38 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.534 ' SG ' HD13 ' A' ' 4' ' ' ILE . 4.6 m -66.48 -28.59 68.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 55.4 mtpt -62.71 -40.63 97.76 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -68.79 -41.4 78.8 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.837 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.532 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 88.6 mtt-85 -56.87 -48.06 79.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.384 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.57 17.88 0.56 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.519 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 5.5 m-85 -90.54 165.57 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . 48.9 mtpt -66.07 -32.79 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.32 0.581 . . . . 0.0 109.673 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.97 -147.38 9.32 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.89 149.41 11.35 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.03 139.25 17.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.468 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 12.4 m -83.53 120.55 26.07 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.23 115.53 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.947 -1.12 . . . . 0.0 113.276 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p 166.86 -160.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.19 118.45 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 59.85 23.36 12.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.108 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 51.5 44.56 28.97 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.756 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.77 -36.18 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 6.3 m120 -81.26 131.95 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t -95.45 107.41 19.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.995 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 94.1 m95 -104.81 115.67 30.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.601 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 75.5 m -87.06 137.0 32.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.233 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 67.7 mm-40 -62.11 116.66 5.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.423 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.865 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.708 0.289 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 54.5 tptt -87.59 121.28 29.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.802 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 27.4 tp -80.51 127.75 32.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 110.235 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 pt -118.26 -19.96 5.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.719 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 39' ' ' ASN . . . 172.25 -131.71 2.21 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.446 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -157.78 144.41 17.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.872 0.336 . . . . 0.0 111.668 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 50.5 m -79.55 -32.84 42.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.14 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 36' ' ' ALA . 3.3 p -72.73 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.812 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -65.1 142.22 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.335 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.11 -31.31 6.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.393 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.489 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -66.3 144.05 56.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.554 0.216 . . . . 0.0 110.966 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.41 131.16 15.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.839 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 66.39 57.17 0.74 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.475 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.51 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 91.7 t80 -64.56 138.82 58.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -141.74 118.9 11.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.316 0.579 . . . . 0.0 109.837 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.51 ' HG ' ' HE2' ' A' ' 14' ' ' TYR . 9.1 m -77.16 -47.2 20.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.744 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.651 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m120 -87.73 56.87 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.15 -55.6 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.426 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.63 -44.56 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.018 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.65 -40.69 92.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.678 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.397 . . . . 0.0 110.671 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 9.5 mtpm? -61.23 -41.33 96.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.762 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -62.22 -34.9 77.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.287 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -77.48 8.19 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.826 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 14.36 82.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.163 -0.541 . . . . 0.0 113.567 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -90.08 161.07 15.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -57.66 -43.78 85.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.427 0.632 . . . . 0.0 109.984 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.24 -164.28 32.34 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.04 143.2 12.59 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -136.05 146.73 47.4 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.08 151.61 46.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.49 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.1 -133.49 0.74 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.95 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.6 m -76.16 -139.7 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -44.89 134.44 5.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.64 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 57.99 28.77 16.7 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.373 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 4.3 m120 57.02 38.3 29.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.409 0.623 . . . . 0.0 110.021 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HA ' HG12 ' A' ' 8' ' ' VAL . 14.3 p -72.3 134.39 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.052 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 77.0 m-20 69.46 139.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.556 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.484 ' O ' HD12 ' A' ' 3' ' ' LEU . 1.6 m -108.17 114.79 28.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.865 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.2 m95 -107.34 118.24 36.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.43 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 96.5 m -79.19 131.87 36.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.123 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -76.24 113.16 13.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.701 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.33 179.581 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 3.6 m-20 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.629 0.252 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -119.64 125.82 49.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.491 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 40' ' ' CYS . 6.5 tp -82.01 118.94 23.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.2 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.419 HD11 ' SG ' ' A' ' 18' ' ' CYS . 35.0 pt -99.2 -31.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.081 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.59 -141.67 4.02 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.167 -1.015 . . . . 0.0 113.276 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -131.93 136.05 47.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 111.119 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.801 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 28.2 m -77.22 -31.76 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.154 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.449 ' HB ' HG12 ' A' ' 38' ' ' VAL . 7.6 p -58.58 138.95 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.729 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.643 ' HE3' ' H ' ' A' ' 9' ' ' TRP . 1.7 m-90 -75.4 46.66 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.67 45.37 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.177 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.22 173.44 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.86 0.362 . . . . 0.0 111.482 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.3 t -65.64 138.49 22.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.025 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 58.71 54.88 5.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.307 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -59.18 127.4 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.764 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 t -155.74 90.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.899 0.857 . . . . 0.0 109.764 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -42.61 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -88.01 48.6 1.66 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 4' ' ' ILE . 44.4 t -60.61 -39.1 86.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.159 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -55.8 -39.25 71.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.142 0.496 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.24 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.621 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 6.3 tp10 -58.51 -44.38 89.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 79.2 m -61.78 -41.68 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.084 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 33.4 mtmm -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -59.4 -40.74 87.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.386 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.621 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 28.7 mtt85 -72.34 -51.87 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.511 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.4 43.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.756 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 75.8 m-85 -132.12 154.25 49.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.7 -42.35 83.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.79 -157.33 12.0 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.56 147.4 15.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.537 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -140.14 131.57 26.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.193 0.52 . . . . 0.0 111.322 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 8.4 m -83.45 134.35 34.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.637 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -162.97 -148.82 5.49 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.147 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 49.4 m 62.88 -145.16 0.37 Allowed 'General case' 0 C--O 1.235 0.342 0 C-N-CA 122.356 0.262 . . . . 0.0 110.804 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.604 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.4 t80 -61.61 121.06 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.377 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.19 32.63 3.16 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.905 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 10.5 p-10 41.93 35.04 0.49 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.042 0.937 . . . . 0.0 112.532 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 35' ' ' PHE . 30.5 m -89.66 -37.22 9.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.652 0.263 . . . . 0.0 111.069 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 7.0 m120 -70.79 122.29 19.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.219 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.801 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 49.9 t -102.26 125.86 49.09 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.487 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 72.5 m95 -109.4 123.24 49.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.444 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.92 133.9 41.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.169 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.53 121.48 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.355 179.535 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.443 0.163 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -149.26 133.1 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 39' ' ' ASN . 13.3 tp -84.23 125.14 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.333 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -99.86 -33.12 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.745 0.307 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.37 -151.13 8.36 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.588 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.2 m -118.08 139.22 51.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -100.55 20.44 15.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.27 0.557 . . . . 0.0 110.196 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.668 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 13.0 p -120.31 136.14 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.093 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -66.79 133.65 50.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.335 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.49 -38.1 3.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.966 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.52 144.65 31.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.0 111.029 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -62.48 148.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 66.63 49.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.163 0.506 . . . . 0.0 110.387 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' SER . 62.1 t80 -70.6 136.93 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.213 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.7 t -150.99 112.51 4.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.065 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 t -79.43 -43.92 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.2 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -81.88 52.69 2.0 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.13 0.49 . . . . 0.0 110.545 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.12 -49.8 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.991 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.22 -53.56 55.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.98 79.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.208 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.41 -46.36 86.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.632 0.253 . . . . 0.0 111.052 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.26 -47.04 87.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 0.0 110.327 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.31 -36.29 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.447 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.08 -49.15 71.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.967 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -61.0 -48.14 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.544 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.51 39.6 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.344 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -118.42 157.95 26.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.9 -44.81 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.459 . . . . 0.0 111.059 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.95 -166.39 25.95 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.11 148.69 13.52 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.306 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -158.54 136.71 10.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.333 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.1 t -64.49 132.11 49.03 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.24 -130.65 1.35 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.707 -1.235 . . . . 0.0 113.474 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.718 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 8.7 t 66.53 -142.52 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -94.74 113.2 24.94 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.724 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.04 43.64 11.14 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 52.83 61.47 3.17 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.668 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 18.1 m -111.78 -44.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.718 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 65.5 m-20 -101.02 138.97 37.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.082 0.468 . . . . 0.0 111.926 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.519 ' O ' HD12 ' A' ' 3' ' ' LEU . 7.7 t -91.02 105.97 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.575 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -100.13 124.22 45.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.0 111.488 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 65.4 m -90.1 138.23 31.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.277 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.83 128.84 36.59 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.871 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.664 0.268 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -155.98 129.72 8.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 39' ' ' ASN . 43.0 tp -91.32 129.18 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.349 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.5 pt -116.98 -21.19 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 13' ' ' ASN . . . 166.98 -142.47 7.61 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.297 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -141.19 136.3 31.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.112 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 19.6 p -76.27 -38.48 56.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.431 HG11 HG12 ' A' ' 38' ' ' VAL . 4.4 p -68.96 137.71 23.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.525 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -66.29 146.83 54.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.099 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.94 -27.63 6.55 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.86 44.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.743 0.306 . . . . 0.0 111.286 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.83 142.59 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.095 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.478 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 70.5 m-80 61.08 47.25 7.44 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.652 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -55.99 134.88 52.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 0.0 111.401 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 t -147.03 106.85 3.96 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.708 0.766 . . . . 0.0 109.478 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -66.29 -39.73 89.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 76.4 m-20 -83.98 53.24 2.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.833 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.89 -45.07 50.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.827 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -81.96 -53.42 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.385 0.612 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -55.11 -42.0 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.003 -0.999 . . . . 0.0 113.247 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 4.2 tp10 -59.57 -44.8 93.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.086 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.29 -42.31 98.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.41 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -59.26 -40.64 86.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.713 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 20' ' ' ALA . 5.2 mpt_? -66.23 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.224 0.535 . . . . 0.0 110.212 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 78.6 mtt-85 -83.69 15.22 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.385 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.65 51.42 8.14 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.444 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -132.47 158.56 41.74 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.84 -43.95 97.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 0.0 110.055 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.69 -153.11 9.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.82 144.35 9.14 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.377 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -159.53 145.5 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.875 0.369 . . . . 0.0 111.435 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 31.1 m -74.64 155.45 37.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.317 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.38 -142.95 4.19 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.894 -1.146 . . . . 0.0 113.135 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.2 m 59.88 -137.41 0.71 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.69 0.396 . . . . 0.0 110.069 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.62 124.17 21.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 -123.96 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HA ' HD22 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -144.13 38.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.054 0.454 . . . . 0.0 110.641 178.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.431 HG12 HG11 ' A' ' 8' ' ' VAL . 23.0 m -101.84 162.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.63 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 79.9 m-20 70.93 124.18 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.867 0.729 . . . . 0.0 112.08 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 7' ' ' CYS . 14.1 m -88.53 121.17 30.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.778 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -108.0 120.61 42.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.861 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.3 m -73.85 129.43 37.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.229 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -72.28 105.56 4.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.177 -178.764 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 72.8 m-20 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -131.24 119.88 22.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 40' ' ' CYS . 27.5 tp -75.79 131.4 39.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.036 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 pt -123.48 -18.09 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.462 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.97 -147.45 10.07 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.377 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -134.46 139.23 45.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 56.7 m -75.37 -27.43 59.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.471 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.96 133.68 31.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -69.32 139.93 54.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 -32.32 7.61 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.155 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.95 153.55 40.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.571 0.224 . . . . 0.0 110.755 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.52 139.29 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.282 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 61.94 54.62 2.77 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.23 0.538 . . . . 0.0 110.751 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -61.42 129.41 41.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.298 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -159.34 73.45 0.58 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.503 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 p -55.17 -47.2 75.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.81 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -79.09 58.52 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.0 110.352 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 27.1 t -49.63 -54.61 17.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.682 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.12 -49.21 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -71.89 -42.09 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -59.36 -44.62 92.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -60.28 -38.37 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 97.0 mttt -60.68 -38.61 85.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.408 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 15.9 mtt-85 -63.23 -36.35 83.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.201 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -80.29 8.69 6.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.967 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.28 12.98 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.954 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 43.2 m-85 -118.33 145.59 45.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 43' ' ' GLU . 13.8 pttp -53.17 -43.0 66.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.212 0.529 . . . . 0.0 111.221 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.39 -160.31 12.6 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.41 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.97 166.84 40.03 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -166.14 144.0 5.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.991 0.395 . . . . 0.0 110.675 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.5 m -74.08 133.78 42.89 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.584 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -138.24 -158.52 7.8 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.49 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m 66.95 -171.62 0.19 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.518 0.327 . . . . 0.0 110.23 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.75 129.72 41.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.635 0.255 . . . . 0.0 110.728 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.61 13.07 7.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.588 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 m120 50.79 41.49 26.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.344 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.87 -40.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -71.63 133.07 45.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.772 0.32 . . . . 0.0 111.571 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.482 ' O ' HD12 ' A' ' 3' ' ' LEU . 8.7 t -91.93 114.22 26.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 89.5 m95 -111.92 121.28 44.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 0.0 111.378 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 97.4 m -80.33 137.28 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.398 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 40.9 mm-40 -69.16 124.65 24.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.148 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.04 -179.693 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.769 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 14.0 m-20 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -113.73 128.68 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.197 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 40' ' ' CYS . 21.0 tp -85.76 118.43 25.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.457 HG12 ' SG ' ' A' ' 42' ' ' CYS . 2.7 pp -103.42 -17.27 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.65 -141.34 4.09 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.596 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -130.33 142.52 50.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.325 0.583 . . . . 0.0 110.906 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -89.37 -27.14 20.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -83.95 134.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.099 0.476 . . . . 0.0 110.969 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -68.08 128.89 38.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.66 -37.94 2.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.121 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.21 156.77 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.928 0.395 . . . . 0.0 111.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.36 143.08 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.471 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 63.44 46.18 4.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.94 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -67.43 135.19 52.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.439 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.503 HG23 ' HB2' ' A' ' 18' ' ' CYS . 4.4 t -147.58 108.8 4.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.766 0.793 . . . . 0.0 110.294 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.8 t -77.17 -37.96 52.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.208 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -95.13 45.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.709 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB2' HG23 ' A' ' 15' ' ' THR . 51.7 t -56.78 -34.53 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.654 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -54.11 -54.17 43.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -69.86 -37.61 76.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.321 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 31.5 tp10 -53.36 -48.81 68.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.798 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.8 m -63.15 -43.36 98.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.656 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 68.4 mttm -59.74 -41.91 91.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.833 0.349 . . . . 0.0 110.418 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 98.4 mtt180 -62.04 -33.79 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.75 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -81.64 12.44 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.82 44.7 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.06 -0.59 . . . . 0.0 113.551 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 51.3 m-85 -112.54 153.23 27.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -57.57 -43.43 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.081 0.467 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.23 -159.94 19.73 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -160.78 145.81 11.57 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -141.11 135.59 31.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.242 0.544 . . . . 0.0 112.0 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 82.0 m -79.05 128.21 32.98 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.586 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.64 -147.67 4.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.094 -1.051 . . . . 0.0 113.134 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m 66.61 -149.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 38' ' ' VAL . 33.6 t80 -73.86 122.97 23.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.696 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.05 40.24 16.8 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.586 0.554 . . . . 0.0 112.289 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 7.6 p-10 41.33 35.8 0.45 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 113.032 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.9 m -76.16 -37.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 0.0 111.457 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -92.86 128.33 38.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.661 0.267 . . . . 0.0 111.093 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 21.3 t -100.83 122.28 43.15 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.769 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 73.1 m95 -110.06 126.16 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.924 0.392 . . . . 0.0 111.269 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 72.7 m -76.34 137.12 39.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.831 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.21 121.72 13.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.155 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -86.88 134.16 33.55 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 40' ' ' CYS . 21.3 tp -88.32 127.49 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.097 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.8 pt -104.91 -27.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.938 0.399 . . . . 0.0 110.814 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.84 -141.52 6.4 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.302 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 37.2 m -130.21 143.09 50.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.698 0.285 . . . . 0.0 110.558 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 p -99.05 32.7 2.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.335 0.588 . . . . 0.0 109.95 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.2 p -129.89 140.97 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.472 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -64.43 149.59 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.356 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.22 -41.22 3.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.974 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.44 140.39 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.58 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.84 143.81 14.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 65.76 45.02 2.71 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' SER . 4.5 t80 -71.36 113.22 8.17 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.483 0.659 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -116.8 96.96 5.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.525 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -68.08 -50.97 51.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.965 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -86.53 48.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -53.95 -49.08 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.72 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 48.3 t30 -54.98 -47.18 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.108 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . . . -65.58 -44.44 86.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -55.15 -48.65 73.41 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.078 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.6 m -62.27 -46.13 90.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.828 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 7.6 mtmp? -58.26 -40.25 81.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 -63.51 -36.34 83.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.448 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -81.74 18.29 1.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.93 -15.8 53.89 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.722 -0.752 . . . . 0.0 114.29 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 73.7 m-85 -70.26 155.21 40.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.445 0.623 . . . . 0.0 110.591 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.86 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.067 0.46 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.88 -157.72 20.6 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -148.57 146.01 15.06 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.626 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -141.33 132.65 26.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.141 0.496 . . . . 0.0 110.639 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 77.8 m -75.3 143.04 43.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.359 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -153.78 -141.24 3.22 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.008 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m 61.01 -147.98 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 38' ' ' VAL . 19.4 t80 -84.19 122.51 28.95 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.104 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 28.0 17.67 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.571 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 52.78 39.28 28.46 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 35' ' ' PHE . 29.1 m -82.67 -48.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.724 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.482 ' HB3' HD11 ' A' ' 3' ' ' LEU . 7.1 m120 -79.68 142.91 35.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 14.8 t -112.13 125.72 54.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -108.26 127.86 54.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.73 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 71.6 m -75.61 136.7 40.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.15 114.97 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.054 -179.324 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 71.2 m-20 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.746 0.308 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -87.84 120.52 29.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.512 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 40' ' ' CYS . 40.9 tp -86.8 124.39 32.99 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 pt -121.45 -8.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.592 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.62 -152.53 17.92 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 119.563 -1.303 . . . . 0.0 113.505 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 77.9 p -137.34 145.88 43.89 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.97 0.414 . . . . 0.0 111.181 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 m -95.87 41.24 1.1 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.39 135.87 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.29 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -64.25 143.87 57.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.529 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -31.25 3.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.163 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.16 148.82 49.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.71 0.291 . . . . 0.0 110.733 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.46 138.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 61.98 48.22 5.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.682 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -65.92 130.34 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 t -158.48 99.28 1.59 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.393 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -73.81 -37.9 64.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.179 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -84.07 53.97 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.385 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.2 t -44.5 -48.61 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.21 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -55.78 -49.7 72.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -63.99 -43.22 96.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.21 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.63 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 9.2 tp10 -57.18 -45.3 83.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.227 0.536 . . . . 0.0 110.1 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 75.0 m -65.42 -42.52 92.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -61.11 -41.0 95.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.58 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 30.0 mmm180 -62.29 -42.4 99.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.63 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 32.7 mtt85 -67.06 -58.34 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.923 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.38 43.19 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.275 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.612 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 41.2 m-85 -124.02 153.25 41.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HG3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.73 -44.66 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.62 -164.72 22.74 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.69 149.52 15.89 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.923 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -146.99 142.38 27.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.1 0.476 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 37' ' ' ASN . 24.2 m -74.13 129.46 37.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 -140.74 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.757 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m 59.72 -139.42 0.67 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -67.57 105.01 1.73 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.03 -75.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.951 0.782 . . . . 0.0 111.477 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.7 p30 -171.57 36.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 109.889 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 m -73.4 -37.87 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.506 ' HB3' HD11 ' A' ' 3' ' ' LEU . 81.8 m-20 -105.15 143.21 33.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' O ' HD12 ' A' ' 3' ' ' LEU . 7.2 t -89.75 118.48 29.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.38 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 82.7 m95 -116.37 120.92 40.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.0 110.985 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.07 137.0 37.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.493 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HB2' ' HG3' ' A' ' 28' ' ' LYS . 5.8 mm-40 -69.61 129.73 40.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.694 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.456 -179.709 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.809 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 2.0 m-20 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -96.26 126.16 41.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.02 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 39' ' ' ASN . 60.5 tp -93.1 128.94 39.21 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.461 HD11 ' SG ' ' A' ' 42' ' ' CYS . 1.9 pp -149.68 27.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.659 0.266 . . . . 0.0 111.653 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.96 151.81 6.91 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.024 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 m -90.27 133.12 35.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.943 0.401 . . . . 0.0 110.34 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 t -82.12 -31.13 30.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.284 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.38 135.59 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.832 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -69.22 126.48 29.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.62 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.93 -40.26 2.19 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.181 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.6 152.02 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.755 0.312 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG22 ' OD1' ' A' ' 13' ' ' ASN . 9.1 p -60.16 139.3 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.444 ' OD1' HG22 ' A' ' 12' ' ' VAL . 9.0 m120 67.16 47.52 1.33 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.77 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 41.7 t80 -65.09 136.58 56.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 t -154.09 101.54 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.649 0.737 . . . . 0.0 110.022 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.419 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 30.4 t -69.15 -42.64 75.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.202 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 68.7 m-80 -76.69 61.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.507 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.0 t -55.12 -47.66 74.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.349 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -60.24 -54.29 47.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.421 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.714 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . . . -63.05 -39.41 94.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.985 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.82 -49.83 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' A' ' 30' ' ' GLY . 70.8 m -60.87 -44.2 97.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.076 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' ' 20' ' ' ALA . 47.8 mtmt -61.82 -44.49 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.584 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.15 -42.25 99.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.74 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -65.08 -57.67 8.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.69 39.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.267 -0.968 . . . . 0.0 112.891 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 75.6 m-85 -132.96 153.68 51.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -57.12 -43.13 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.595 0.236 . . . . 0.0 111.505 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.13 32.47 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.203 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -154.3 155.63 26.32 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -151.51 138.2 18.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.735 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.52 136.36 44.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.925 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -155.77 -146.51 4.47 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.47 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.701 ' HB2' ' HE1' ' A' ' 41' ' ' TRP . 22.1 t 67.55 -155.78 0.21 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 38' ' ' VAL . 42.7 t80 -69.85 125.98 28.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.436 0.16 . . . . 0.0 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.99 27.1 3.04 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 53.64 35.97 22.44 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.672 0.389 . . . . 0.0 111.966 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 35' ' ' PHE . 29.5 m -82.19 -21.72 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.519 ' HB3' HD13 ' A' ' 3' ' ' LEU . 68.8 m-20 -106.82 139.93 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.59 122.6 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.809 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 81.7 m95 -115.26 120.89 41.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.155 0.502 . . . . 0.0 111.996 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' HD11 ' A' ' 4' ' ' ILE . 73.4 m -82.38 134.1 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.08 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -73.41 113.22 10.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.845 -178.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 26.5 m-20 . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -124.17 129.94 51.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 40' ' ' CYS . 13.9 tp -82.08 127.08 32.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.829 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.534 HD13 ' SG ' ' A' ' 22' ' ' CYS . 45.3 pt -108.7 -29.62 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.907 0.384 . . . . 0.0 110.463 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.51 -143.43 4.58 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -129.83 138.59 51.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 111.269 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 52.2 m -80.61 -31.31 36.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.715 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' CB ' ' A' ' 11' ' ' ALA . 3.5 p -65.72 136.32 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.57 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -63.28 139.97 58.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.022 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.96 -29.19 7.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.605 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' CB ' HG13 ' A' ' 8' ' ' VAL . . . -68.45 155.15 40.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.38 . . . . 0.0 111.999 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG22 ' OD1' ' A' ' 13' ' ' ASN . 12.7 p -62.47 141.19 18.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' HG22 ' A' ' 12' ' ' VAL . 6.5 m120 60.05 50.94 6.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.517 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' OH ' ' HB2' ' A' ' 16' ' ' SER . 51.7 t80 -59.65 131.04 49.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.017 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -150.43 95.89 2.31 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.993 0.901 . . . . 0.0 110.026 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB2' ' OH ' ' A' ' 14' ' ' TYR . 26.7 t -71.18 -35.43 71.59 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.111 -0.949 . . . . 0.0 108.902 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.795 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 79.0 m-20 -94.42 54.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.549 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -50.88 -53.22 34.34 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.475 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 35.6 t30 -64.5 -50.1 68.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.319 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.795 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -59.51 -44.85 93.02 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -60.08 -51.57 69.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 111.38 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.534 ' SG ' HD13 ' A' ' 4' ' ' ILE . 4.6 m -66.48 -28.59 68.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 55.4 mtpt -62.71 -40.63 97.76 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -68.79 -41.4 78.8 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.837 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.532 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 88.6 mtt-85 -56.87 -48.06 79.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.384 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.57 17.88 0.56 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.519 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 5.5 m-85 -90.54 165.57 13.7 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . 48.9 mtpt -66.07 -32.79 74.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.32 0.581 . . . . 0.0 109.673 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.97 -147.38 9.32 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.89 149.41 11.35 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.03 139.25 17.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.931 0.396 . . . . 0.0 110.468 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 12.4 m -83.53 120.55 26.07 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.23 115.53 0.81 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.947 -1.12 . . . . 0.0 113.276 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p 166.86 -160.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.19 118.45 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 59.85 23.36 12.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.108 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 m120 51.5 44.56 28.97 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.756 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -79.77 -36.18 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 6.3 m120 -81.26 131.95 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t -95.45 107.41 19.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.995 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.716 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 94.1 m95 -104.81 115.67 30.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.601 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 75.5 m -87.06 137.0 32.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.233 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 67.7 mm-40 -62.11 116.66 5.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.423 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.865 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.708 0.289 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 54.5 tptt -87.59 121.28 29.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.802 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 27.4 tp -80.51 127.75 32.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 110.235 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.5 pt -118.26 -19.96 5.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.719 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 39' ' ' ASN . . . 172.25 -131.71 2.21 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.446 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -157.78 144.41 17.85 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.872 0.336 . . . . 0.0 111.668 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 50.5 m -79.55 -32.84 42.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.14 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 36' ' ' ALA . 3.3 p -72.73 132.86 32.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.812 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -65.1 142.22 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.335 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.11 -31.31 6.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.393 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.489 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -66.3 144.05 56.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.554 0.216 . . . . 0.0 110.966 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.41 131.16 15.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.839 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 66.39 57.17 0.74 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.475 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.51 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 91.7 t80 -64.56 138.82 58.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -141.74 118.9 11.35 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.316 0.579 . . . . 0.0 109.837 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.51 ' HG ' ' HE2' ' A' ' 14' ' ' TYR . 9.1 m -77.16 -47.2 20.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.744 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.651 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m120 -87.73 56.87 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.7 t -56.15 -55.6 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.426 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.63 -44.56 93.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.935 0.398 . . . . 0.0 111.018 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.65 -40.69 92.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.678 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.92 -48.37 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.397 . . . . 0.0 110.671 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 23' ' ' LYS . 9.5 mtpm? -61.23 -41.33 96.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.762 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -62.22 -34.9 77.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.287 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -77.48 8.19 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.826 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 14.36 82.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.163 -0.541 . . . . 0.0 113.567 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -90.08 161.07 15.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -57.66 -43.78 85.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.427 0.632 . . . . 0.0 109.984 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.24 -164.28 32.34 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.04 143.2 12.59 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -136.05 146.73 47.4 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.08 151.61 46.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.49 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.1 -133.49 0.74 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.95 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.6 m -76.16 -139.7 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -44.89 134.44 5.72 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.64 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 57.99 28.77 16.7 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.373 178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 4.3 m120 57.02 38.3 29.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.409 0.623 . . . . 0.0 110.021 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HA ' HG12 ' A' ' 8' ' ' VAL . 14.3 p -72.3 134.39 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.052 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 77.0 m-20 69.46 139.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.556 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.484 ' O ' HD12 ' A' ' 3' ' ' LEU . 1.6 m -108.17 114.79 28.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.865 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.2 m95 -107.34 118.24 36.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.873 0.368 . . . . 0.0 111.43 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 96.5 m -79.19 131.87 36.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.123 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -76.24 113.16 13.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.701 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.33 179.581 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 3.6 m-20 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.629 0.252 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -119.64 125.82 49.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.491 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 40' ' ' CYS . 6.5 tp -82.01 118.94 23.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.2 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.419 HD11 ' SG ' ' A' ' 18' ' ' CYS . 35.0 pt -99.2 -31.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.081 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.59 -141.67 4.02 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.167 -1.015 . . . . 0.0 113.276 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -131.93 136.05 47.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 111.119 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.801 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 28.2 m -77.22 -31.76 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.154 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' HB ' HG12 ' A' ' 38' ' ' VAL . 7.6 p -58.58 138.95 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.729 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.643 ' HE3' ' H ' ' A' ' 9' ' ' TRP . 1.7 m-90 -75.4 46.66 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.941 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.67 45.37 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.177 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.22 173.44 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.86 0.362 . . . . 0.0 111.482 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.3 t -65.64 138.49 22.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.025 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 58.71 54.88 5.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.307 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -59.18 127.4 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.764 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 t -155.74 90.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.899 0.857 . . . . 0.0 109.764 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -42.61 78.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.605 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -88.01 48.6 1.66 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 4' ' ' ILE . 44.4 t -60.61 -39.1 86.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.159 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -55.8 -39.25 71.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.142 0.496 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.24 31.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.621 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 6.3 tp10 -58.51 -44.38 89.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 79.2 m -61.78 -41.68 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.084 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 33.4 mtmm -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -59.4 -40.74 87.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.386 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.621 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 28.7 mtt85 -72.34 -51.87 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.511 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.4 43.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.756 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 75.8 m-85 -132.12 154.25 49.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -57.7 -42.35 83.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.79 -157.33 12.0 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.56 147.4 15.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.537 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -140.14 131.57 26.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.193 0.52 . . . . 0.0 111.322 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 8.4 m -83.45 134.35 34.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.637 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -162.97 -148.82 5.49 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.147 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 49.4 m 62.88 -145.16 0.37 Allowed 'General case' 0 C--O 1.235 0.342 0 C-N-CA 122.356 0.262 . . . . 0.0 110.804 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.604 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.4 t80 -61.61 121.06 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.377 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.19 32.63 3.16 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.905 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 10.5 p-10 41.93 35.04 0.49 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.042 0.937 . . . . 0.0 112.532 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 35' ' ' PHE . 30.5 m -89.66 -37.22 9.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.652 0.263 . . . . 0.0 111.069 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 7.0 m120 -70.79 122.29 19.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.219 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.801 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 49.9 t -102.26 125.86 49.09 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.487 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.807 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 72.5 m95 -109.4 123.24 49.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.444 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.92 133.9 41.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.169 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.53 121.48 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.355 179.535 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.443 0.163 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -149.26 133.1 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 39' ' ' ASN . 13.3 tp -84.23 125.14 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.333 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -99.86 -33.12 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.745 0.307 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.37 -151.13 8.36 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.588 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.2 m -118.08 139.22 51.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -100.55 20.44 15.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.27 0.557 . . . . 0.0 110.196 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.668 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 13.0 p -120.31 136.14 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.093 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -66.79 133.65 50.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.335 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.49 -38.1 3.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.966 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.52 144.65 31.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.0 111.029 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -62.48 148.04 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 66.63 49.04 1.35 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.163 0.506 . . . . 0.0 110.387 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' SER . 62.1 t80 -70.6 136.93 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.213 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.7 t -150.99 112.51 4.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.065 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 t -79.43 -43.92 22.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.2 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -81.88 52.69 2.0 Allowed 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 121.13 0.49 . . . . 0.0 110.545 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.12 -49.8 50.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.991 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -56.22 -53.56 55.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.98 79.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.208 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.41 -46.36 86.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.632 0.253 . . . . 0.0 111.052 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.26 -47.04 87.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 0.0 110.327 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.31 -36.29 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.447 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.08 -49.15 71.18 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.967 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -61.0 -48.14 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.544 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.51 39.6 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.344 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -118.42 157.95 26.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.9 -44.81 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.065 0.459 . . . . 0.0 111.059 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.95 -166.39 25.95 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.11 148.69 13.52 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.306 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -158.54 136.71 10.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.333 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.1 t -64.49 132.11 49.03 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.24 -130.65 1.35 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.707 -1.235 . . . . 0.0 113.474 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.718 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 8.7 t 66.53 -142.52 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -94.74 113.2 24.94 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.724 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.04 43.64 11.14 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 52.83 61.47 3.17 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.668 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 18.1 m -111.78 -44.11 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.718 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 65.5 m-20 -101.02 138.97 37.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.082 0.468 . . . . 0.0 111.926 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.519 ' O ' HD12 ' A' ' 3' ' ' LEU . 7.7 t -91.02 105.97 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.575 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -100.13 124.22 45.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.094 0.473 . . . . 0.0 111.488 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 65.4 m -90.1 138.23 31.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.277 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.83 128.84 36.59 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.871 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.664 0.268 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -155.98 129.72 8.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 39' ' ' ASN . 43.0 tp -91.32 129.18 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.349 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.5 pt -116.98 -21.19 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 13' ' ' ASN . . . 166.98 -142.47 7.61 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.297 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -141.19 136.3 31.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.112 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 19.6 p -76.27 -38.48 56.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG11 HG12 ' A' ' 38' ' ' VAL . 4.4 p -68.96 137.71 23.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.525 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -66.29 146.83 54.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.099 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.94 -27.63 6.55 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.86 44.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.743 0.306 . . . . 0.0 111.286 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.83 142.59 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.095 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 70.5 m-80 61.08 47.25 7.44 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.652 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -55.99 134.88 52.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 0.0 111.401 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 t -147.03 106.85 3.96 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.708 0.766 . . . . 0.0 109.478 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -66.29 -39.73 89.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 76.4 m-20 -83.98 53.24 2.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.833 178.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.89 -45.07 50.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.827 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -81.96 -53.42 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.385 0.612 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -55.11 -42.0 72.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.003 -0.999 . . . . 0.0 113.247 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 4.2 tp10 -59.57 -44.8 93.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.086 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.29 -42.31 98.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.41 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -59.26 -40.64 86.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.713 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 20' ' ' ALA . 5.2 mpt_? -66.23 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.224 0.535 . . . . 0.0 110.212 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 78.6 mtt-85 -83.69 15.22 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.385 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.65 51.42 8.14 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.444 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -132.47 158.56 41.74 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -61.84 -43.95 97.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 0.0 110.055 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.69 -153.11 9.12 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.82 144.35 9.14 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.377 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -159.53 145.5 16.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.875 0.369 . . . . 0.0 111.435 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 31.1 m -74.64 155.45 37.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.317 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.38 -142.95 4.19 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.894 -1.146 . . . . 0.0 113.135 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.2 m 59.88 -137.41 0.71 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.69 0.396 . . . . 0.0 110.069 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.62 124.17 21.2 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 -123.96 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HA ' HD22 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -144.13 38.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.054 0.454 . . . . 0.0 110.641 178.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.431 HG12 HG11 ' A' ' 8' ' ' VAL . 23.0 m -101.84 162.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.63 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 79.9 m-20 70.93 124.18 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.867 0.729 . . . . 0.0 112.08 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 7' ' ' CYS . 14.1 m -88.53 121.17 30.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.778 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -108.0 120.61 42.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.861 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.3 m -73.85 129.43 37.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.229 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -72.28 105.56 4.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.177 -178.764 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 72.8 m-20 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -131.24 119.88 22.44 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 40' ' ' CYS . 27.5 tp -75.79 131.4 39.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.036 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 pt -123.48 -18.09 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.462 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.97 -147.45 10.07 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.377 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -134.46 139.23 45.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 56.7 m -75.37 -27.43 59.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.471 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.96 133.68 31.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -69.32 139.93 54.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 -32.32 7.61 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.155 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.95 153.55 40.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.571 0.224 . . . . 0.0 110.755 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.52 139.29 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.282 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 61.94 54.62 2.77 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.23 0.538 . . . . 0.0 110.751 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -61.42 129.41 41.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.298 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -159.34 73.45 0.58 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.503 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 p -55.17 -47.2 75.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.81 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -79.09 58.52 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.0 110.352 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 27.1 t -49.63 -54.61 17.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.682 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.12 -49.21 67.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -71.89 -42.09 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -59.36 -44.62 92.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.65 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -60.28 -38.37 83.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.315 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 97.0 mttt -60.68 -38.61 85.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.408 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 15.9 mtt-85 -63.23 -36.35 83.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.201 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -80.29 8.69 6.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.967 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.04 37.28 12.98 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.954 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 43.2 m-85 -118.33 145.59 45.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 43' ' ' GLU . 13.8 pttp -53.17 -43.0 66.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.212 0.529 . . . . 0.0 111.221 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.39 -160.31 12.6 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.41 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.97 166.84 40.03 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -166.14 144.0 5.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.991 0.395 . . . . 0.0 110.675 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.5 m -74.08 133.78 42.89 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.584 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -138.24 -158.52 7.8 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.49 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m 66.95 -171.62 0.19 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.518 0.327 . . . . 0.0 110.23 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.75 129.72 41.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.635 0.255 . . . . 0.0 110.728 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.61 13.07 7.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.588 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 4.1 m120 50.79 41.49 26.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.344 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.7 m -83.87 -40.4 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.775 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -71.63 133.07 45.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.772 0.32 . . . . 0.0 111.571 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' O ' HD12 ' A' ' 3' ' ' LEU . 8.7 t -91.93 114.22 26.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 89.5 m95 -111.92 121.28 44.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 0.0 111.378 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 97.4 m -80.33 137.28 36.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.398 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 40.9 mm-40 -69.16 124.65 24.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.148 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.04 -179.693 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.769 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 14.0 m-20 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -113.73 128.68 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.197 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 40' ' ' CYS . 21.0 tp -85.76 118.43 25.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.457 HG12 ' SG ' ' A' ' 42' ' ' CYS . 2.7 pp -103.42 -17.27 7.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.65 -141.34 4.09 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.596 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -130.33 142.52 50.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.325 0.583 . . . . 0.0 110.906 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.4 t -89.37 -27.14 20.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -83.95 134.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.099 0.476 . . . . 0.0 110.969 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -68.08 128.89 38.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.66 -37.94 2.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.121 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.21 156.77 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.928 0.395 . . . . 0.0 111.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.36 143.08 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.471 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 63.44 46.18 4.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.94 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -67.43 135.19 52.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.439 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.503 HG23 ' HB2' ' A' ' 18' ' ' CYS . 4.4 t -147.58 108.8 4.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.766 0.793 . . . . 0.0 110.294 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.8 t -77.17 -37.96 52.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.208 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -95.13 45.16 1.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.709 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB2' HG23 ' A' ' 15' ' ' THR . 51.7 t -56.78 -34.53 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.654 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -54.11 -54.17 43.14 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -69.86 -37.61 76.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.321 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 31.5 tp10 -53.36 -48.81 68.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.798 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.8 m -63.15 -43.36 98.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.656 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 68.4 mttm -59.74 -41.91 91.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.833 0.349 . . . . 0.0 110.418 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 98.4 mtt180 -62.04 -33.79 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.75 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -81.64 12.44 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.821 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.82 44.7 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.06 -0.59 . . . . 0.0 113.551 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 51.3 m-85 -112.54 153.23 27.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -57.57 -43.43 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.081 0.467 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.23 -159.94 19.73 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -160.78 145.81 11.57 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -141.11 135.59 31.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.242 0.544 . . . . 0.0 112.0 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 82.0 m -79.05 128.21 32.98 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.586 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.64 -147.67 4.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.094 -1.051 . . . . 0.0 113.134 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m 66.61 -149.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 38' ' ' VAL . 33.6 t80 -73.86 122.97 23.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.696 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.05 40.24 16.8 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.586 0.554 . . . . 0.0 112.289 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 7.6 p-10 41.33 35.8 0.45 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.104 0.962 . . . . 0.0 113.032 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.9 m -76.16 -37.51 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 0.0 111.457 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -92.86 128.33 38.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.661 0.267 . . . . 0.0 111.093 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 21.3 t -100.83 122.28 43.15 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.769 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 73.1 m95 -110.06 126.16 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.924 0.392 . . . . 0.0 111.269 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 72.7 m -76.34 137.12 39.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.831 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.21 121.72 13.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.155 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -86.88 134.16 33.55 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 40' ' ' CYS . 21.3 tp -88.32 127.49 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.097 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.8 pt -104.91 -27.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.938 0.399 . . . . 0.0 110.814 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.84 -141.52 6.4 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.302 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 37.2 m -130.21 143.09 50.58 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.698 0.285 . . . . 0.0 110.558 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.5 p -99.05 32.7 2.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.335 0.588 . . . . 0.0 109.95 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.2 p -129.89 140.97 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.472 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 47.4 p-90 -64.43 149.59 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.356 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.22 -41.22 3.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.974 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.44 140.39 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.58 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.84 143.81 14.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.311 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 65.76 45.02 2.71 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' SER . 4.5 t80 -71.36 113.22 8.17 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.483 0.659 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -116.8 96.96 5.72 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.525 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.6 p -68.08 -50.97 51.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.965 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -86.53 48.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -53.95 -49.08 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.72 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 48.3 t30 -54.98 -47.18 74.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.108 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . . . -65.58 -44.44 86.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.535 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -55.15 -48.65 73.41 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.078 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.6 m -62.27 -46.13 90.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.828 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 7.6 mtmp? -58.26 -40.25 81.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.793 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 -63.51 -36.34 83.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.448 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -81.74 18.29 1.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.93 -15.8 53.89 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.722 -0.752 . . . . 0.0 114.29 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 73.7 m-85 -70.26 155.21 40.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.445 0.623 . . . . 0.0 110.591 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.86 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.067 0.46 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.88 -157.72 20.6 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -148.57 146.01 15.06 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.626 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -141.33 132.65 26.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.141 0.496 . . . . 0.0 110.639 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 77.8 m -75.3 143.04 43.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.359 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -153.78 -141.24 3.22 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.008 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m 61.01 -147.98 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 38' ' ' VAL . 19.4 t80 -84.19 122.51 28.95 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.104 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.54 28.0 17.67 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.571 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 3.5 m120 52.78 39.28 28.46 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 35' ' ' PHE . 29.1 m -82.67 -48.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.724 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.482 ' HB3' HD11 ' A' ' 3' ' ' LEU . 7.1 m120 -79.68 142.91 35.09 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 14.8 t -112.13 125.72 54.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -108.26 127.86 54.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.73 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 71.6 m -75.61 136.7 40.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.15 114.97 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.054 -179.324 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 71.2 m-20 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.746 0.308 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -87.84 120.52 29.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.512 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 40' ' ' CYS . 40.9 tp -86.8 124.39 32.99 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 pt -121.45 -8.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.592 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.62 -152.53 17.92 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 119.563 -1.303 . . . . 0.0 113.505 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 77.9 p -137.34 145.88 43.89 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.97 0.414 . . . . 0.0 111.181 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 m -95.87 41.24 1.1 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.39 135.87 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.29 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -64.25 143.87 57.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.529 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -31.25 3.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.163 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.16 148.82 49.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.71 0.291 . . . . 0.0 110.733 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.46 138.58 22.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 61.98 48.22 5.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.682 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -65.92 130.34 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.18 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 t -158.48 99.28 1.59 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.393 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -73.81 -37.9 64.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.179 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -84.07 53.97 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.385 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.2 t -44.5 -48.61 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.21 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -55.78 -49.7 72.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.803 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -63.99 -43.22 96.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.21 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.63 ' HG3' ' NH1' ' A' ' 25' ' ' ARG . 9.2 tp10 -57.18 -45.3 83.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.227 0.536 . . . . 0.0 110.1 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 75.0 m -65.42 -42.52 92.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -61.11 -41.0 95.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.58 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 30.0 mmm180 -62.29 -42.4 99.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.63 ' NH1' ' HG3' ' A' ' 21' ' ' GLU . 32.7 mtt85 -67.06 -58.34 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.923 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.38 43.19 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.275 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.612 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 41.2 m-85 -124.02 153.25 41.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HG3' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.73 -44.66 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.62 -164.72 22.74 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.69 149.52 15.89 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.923 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -146.99 142.38 27.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.1 0.476 . . . . 0.0 110.948 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 37' ' ' ASN . 24.2 m -74.13 129.46 37.88 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.06 -140.74 4.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.757 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m 59.72 -139.42 0.67 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -67.57 105.01 1.73 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.03 -75.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.951 0.782 . . . . 0.0 111.477 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.7 p30 -171.57 36.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 109.889 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 m -73.4 -37.87 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.506 ' HB3' HD11 ' A' ' 3' ' ' LEU . 81.8 m-20 -105.15 143.21 33.65 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' O ' HD12 ' A' ' 3' ' ' LEU . 7.2 t -89.75 118.48 29.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.38 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 82.7 m95 -116.37 120.92 40.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.098 0.475 . . . . 0.0 110.985 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.07 137.0 37.33 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.493 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HB2' ' HG3' ' A' ' 28' ' ' LYS . 5.8 mm-40 -69.61 129.73 40.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.694 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.456 -179.709 . . . . . . . . 0 0 . 1 stop_ save_