data_2mor_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 2mor _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.307 0.0 OUTLIER . . . . . 0 CA--C 1.49 -1.331 0 CA-C-O 121.743 0.782 . . . . 0.0 110.533 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -96.84 154.36 17.34 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.361 -2.712 . . . . 0.0 109.01 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.8 pt -147.95 157.93 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 130.708 3.603 . . . . 0.0 109.924 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -112.23 131.83 55.27 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 124.279 1.032 . . . . 0.0 109.103 -171.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -120.13 106.91 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 119.151 -2.218 . . . . 0.0 106.723 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -89.6 129.84 35.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 125.435 2.541 . . . . 0.0 110.704 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -92.89 164.73 13.21 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 117.556 -3.215 . . . . 0.0 112.295 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.78 -30.44 67.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.58 -2.575 . . . . 0.0 113.689 171.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.9 p -91.3 21.73 4.28 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 124.706 2.193 . . . . 0.0 116.562 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.04 0.91 77.96 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 112.047 -2.342 . . . . 0.0 114.055 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -83.3 144.86 29.42 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 121.996 2.898 . . . . 0.0 113.382 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.3 m -112.2 117.16 31.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 123.74 1.733 . . . . 0.0 110.07 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.7 mt -95.64 137.73 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-O 114.721 -2.561 . . . . 0.0 112.329 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 m -110.96 129.89 55.75 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 122.255 2.298 . . . . 0.0 108.386 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.77 150.24 41.3 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.848 2.059 . . . . 0.0 113.565 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -113.5 109.02 17.98 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.22 178.47 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.501 -1.999 . . . . 0.0 111.069 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -129.27 137.61 31.36 Favored Pre-proline 0 N--CA 1.429 -1.479 0 O-C-N 117.667 -3.146 . . . . 0.0 106.263 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.406 34.5 Cg_exo -42.21 -30.89 1.5 Allowed 'Trans proline' 0 C--N 1.3 -2.023 1 N-CA-C 124.023 4.586 . . . . 0.0 124.023 -178.681 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m -85.65 -5.41 59.27 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.809 1.643 . . . . 0.0 114.978 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.66 142.43 57.44 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.72 -2.487 . . . . 0.0 108.739 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.285 14.2 p -86.9 152.35 22.52 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.17 1.788 . . . . 0.0 110.197 173.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.7 mm -50.39 -25.71 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.811 2.444 . . . . 0.0 115.368 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -74.65 -21.27 59.52 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.43 -38.31 71.37 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 126.709 3.147 . . . . 0.0 109.358 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -76.16 -35.19 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 117.476 -3.265 . . . . 0.0 110.73 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 93.1 mttt -70.41 -32.96 70.81 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 124.84 2.257 . . . . 0.0 110.876 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.46 -28.82 67.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.07 -2.269 . . . . 0.0 114.885 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -74.82 -39.07 61.87 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 117.752 -3.093 . . . . 0.0 108.492 171.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.302 61.5 mt -57.96 -32.93 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 120.286 -1.509 . . . . 0.0 111.537 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -69.72 -37.06 76.39 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -79.22 -7.3 58.15 Favored 'General case' 0 N--CA 1.43 -1.449 1 O-C-N 114.978 -4.826 . . . . 0.0 113.669 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -107.64 -40.37 5.33 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.197 -0.94 . . . . 0.0 111.966 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -112.54 -6.99 13.92 Favored 'General case' 0 N--CA 1.429 -1.483 1 N-CA-C 124.536 5.013 . . . . 0.0 124.536 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.33 8.75 87.05 Favored Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 121.06 3.184 . . . . 0.0 121.06 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.2 mt -84.03 118.88 72.46 Favored Pre-proline 0 N--CA 1.43 -1.457 0 C-N-CA 129.675 3.19 . . . . 0.0 108.085 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -68.2 148.13 74.08 Favored 'Trans proline' 0 C--N 1.3 -2.021 0 O-C-N 124.421 1.748 . . . . 0.0 111.866 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -54.6 -34.44 82.94 Favored 'Trans proline' 0 C--N 1.3 -2.006 0 C-N-CA 125.228 3.952 . . . . 0.0 119.246 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.321 74.9 m-20 -63.74 -13.67 45.6 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -109.29 -5.19 15.97 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.485 1.914 . . . . 0.0 108.56 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -100.22 133.97 43.83 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -117.06 122.53 44.43 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.183 2.993 . . . . 0.0 110.26 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.2 mt -102.37 127.54 49.33 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 117.485 -3.259 . . . . 0.0 105.157 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.261 37.9 mm -127.01 141.25 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 1 N-CA-C 99.449 -4.278 . . . . 0.0 99.449 -176.515 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -146.6 126.75 13.79 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.382 -2.074 . . . . 0.0 106.432 174.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.96 39.83 26.94 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.167 -2.208 . . . . 0.0 116.168 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.43 9.5 84.48 Favored Glycine 0 N--CA 1.43 -1.752 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -130.44 129.48 43.05 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.285 2.634 . . . . 0.0 110.693 -169.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -71.65 146.7 48.13 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 118.786 -2.446 . . . . 0.0 111.52 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -99.28 134.12 42.6 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.922 2.089 . . . . 0.0 108.695 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -97.0 129.16 44.51 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.499 1.919 . . . . 0.0 115.565 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS 0.271 7.3 m-20 -48.2 -33.64 8.86 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 120.692 3.59 . . . . 0.0 120.692 179.23 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.45 -8.86 84.37 Favored Glycine 0 N--CA 1.43 -1.758 0 CA-C-N 120.196 1.362 . . . . 0.0 114.974 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -91.54 167.78 11.99 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 125.452 2.549 . . . . 0.0 110.299 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.9 p -107.75 160.19 15.91 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.94 -1.725 . . . . 0.0 112.752 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 mt -51.09 -42.6 60.73 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.034 1.865 . . . . 0.0 116.034 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -63.45 -36.77 84.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 130.224 3.41 . . . . 0.0 113.723 173.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -59.18 -26.4 64.77 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.954 -2.341 . . . . 0.0 115.995 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -97.31 9.28 42.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 127.849 2.46 . . . . 0.0 114.054 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.321 60.2 t30 57.87 44.71 19.59 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.798 2.09 . . . . 0.0 112.302 175.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.52 122.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.955 1.702 . . . . 0.0 107.741 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -119.79 -174.61 2.79 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.711 1.605 . . . . 0.0 108.531 -167.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -65.09 142.41 58.39 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 118.717 -2.489 . . . . 0.0 111.462 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.286 92.5 mt-10 57.79 28.54 16.09 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 m -72.95 143.37 47.68 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 118.176 -2.827 . . . . 0.0 114.203 170.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.328 34.3 m -103.45 109.93 21.75 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.879 -1.138 . . . . 0.0 110.621 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.63 138.92 31.05 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 127.891 2.476 . . . . 0.0 110.428 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -104.65 132.13 51.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.101 -2.249 . . . . 0.0 107.765 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 tp -106.26 117.41 33.96 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.94 -2.35 . . . . 0.0 112.642 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.5 t -118.86 141.46 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-O 126.245 2.926 . . . . 0.0 103.777 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -87.76 147.14 25.32 Favored 'General case' 0 N--CA 1.43 -1.448 1 O-C-N 115.508 -4.495 . . . . 0.0 110.165 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -68.52 148.51 50.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 125.894 2.759 . . . . 0.0 112.078 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.5 mt -66.67 161.41 23.44 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 118.881 -2.387 . . . . 0.0 113.693 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.349 12.0 tpt180 -52.92 127.25 23.03 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 176.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.41 12.12 9.64 Favored Glycine 0 N--CA 1.43 -1.765 0 CA-C-N 121.738 2.063 . . . . 0.0 116.596 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.745 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 173.19 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.307 0.0 OUTLIER . . . . . 0 CA--C 1.49 -1.331 0 CA-C-O 121.743 0.782 . . . . 0.0 110.533 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 48.2 mt-30 -96.84 154.36 17.34 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.361 -2.712 . . . . 0.0 109.01 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.8 pt -147.95 157.93 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 130.708 3.603 . . . . 0.0 109.924 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -112.23 131.83 55.27 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 124.279 1.032 . . . . 0.0 109.103 -171.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -120.13 106.91 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 119.151 -2.218 . . . . 0.0 106.723 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -89.6 129.84 35.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 125.435 2.541 . . . . 0.0 110.704 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -92.89 164.73 13.21 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 117.556 -3.215 . . . . 0.0 112.295 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.78 -30.44 67.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.58 -2.575 . . . . 0.0 113.689 171.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.9 p -91.3 21.73 4.28 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 124.706 2.193 . . . . 0.0 116.562 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.04 0.91 77.96 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 112.047 -2.342 . . . . 0.0 114.055 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -83.3 144.86 29.42 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 121.996 2.898 . . . . 0.0 113.382 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.3 m -112.2 117.16 31.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 123.74 1.733 . . . . 0.0 110.07 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.7 mt -95.64 137.73 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-O 114.721 -2.561 . . . . 0.0 112.329 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 m -110.96 129.89 55.75 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 122.255 2.298 . . . . 0.0 108.386 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 86.2 mt -120.77 150.24 41.3 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.848 2.059 . . . . 0.0 113.565 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -113.5 109.02 17.98 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.22 178.47 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.501 -1.999 . . . . 0.0 111.069 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -129.27 137.61 31.36 Favored Pre-proline 0 N--CA 1.429 -1.479 0 O-C-N 117.667 -3.146 . . . . 0.0 106.263 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.406 34.5 Cg_exo -42.21 -30.89 1.5 Allowed 'Trans proline' 0 C--N 1.3 -2.023 1 N-CA-C 124.023 4.586 . . . . 0.0 124.023 -178.681 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m -85.65 -5.41 59.27 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.809 1.643 . . . . 0.0 114.978 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.66 142.43 57.44 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.72 -2.487 . . . . 0.0 108.739 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 55' ' ' THR 0.285 14.2 p -86.9 152.35 22.52 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.17 1.788 . . . . 0.0 110.197 173.704 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 24.7 mm -50.39 -25.71 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.811 2.444 . . . . 0.0 115.368 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -74.65 -21.27 59.52 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.43 -38.31 71.37 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 126.709 3.147 . . . . 0.0 109.358 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -76.16 -35.19 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 117.476 -3.265 . . . . 0.0 110.73 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -70.41 -32.96 70.81 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 124.84 2.257 . . . . 0.0 110.876 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.46 -28.82 67.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.07 -2.269 . . . . 0.0 114.885 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -74.82 -39.07 61.87 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 117.752 -3.093 . . . . 0.0 108.492 171.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.302 61.5 mt -57.96 -32.93 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 120.286 -1.509 . . . . 0.0 111.537 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -69.72 -37.06 76.39 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -79.22 -7.3 58.15 Favored 'General case' 0 N--CA 1.43 -1.449 1 O-C-N 114.978 -4.826 . . . . 0.0 113.669 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -107.64 -40.37 5.33 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.197 -0.94 . . . . 0.0 111.966 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -112.54 -6.99 13.92 Favored 'General case' 0 N--CA 1.429 -1.483 1 N-CA-C 124.536 5.013 . . . . 0.0 124.536 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.33 8.75 87.05 Favored Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 121.06 3.184 . . . . 0.0 121.06 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.2 mt -84.03 118.88 72.46 Favored Pre-proline 0 N--CA 1.43 -1.457 0 C-N-CA 129.675 3.19 . . . . 0.0 108.085 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -68.2 148.13 74.08 Favored 'Trans proline' 0 C--N 1.3 -2.021 0 O-C-N 124.421 1.748 . . . . 0.0 111.866 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -54.6 -34.44 82.94 Favored 'Trans proline' 0 C--N 1.3 -2.006 0 C-N-CA 125.228 3.952 . . . . 0.0 119.246 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.321 74.9 m-20 -63.74 -13.67 45.6 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -109.29 -5.19 15.97 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.485 1.914 . . . . 0.0 108.56 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -100.22 133.97 43.83 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -117.06 122.53 44.43 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.183 2.993 . . . . 0.0 110.26 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.2 mt -102.37 127.54 49.33 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 117.485 -3.259 . . . . 0.0 105.157 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.261 37.9 mm -127.01 141.25 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 1 N-CA-C 99.449 -4.278 . . . . 0.0 99.449 -176.515 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -146.6 126.75 13.79 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.382 -2.074 . . . . 0.0 106.432 174.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.96 39.83 26.94 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.167 -2.208 . . . . 0.0 116.168 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.43 9.5 84.48 Favored Glycine 0 N--CA 1.43 -1.752 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -130.44 129.48 43.05 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.285 2.634 . . . . 0.0 110.693 -169.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -71.65 146.7 48.13 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 118.786 -2.446 . . . . 0.0 111.52 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -99.28 134.12 42.6 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.922 2.089 . . . . 0.0 108.695 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -97.0 129.16 44.51 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.499 1.919 . . . . 0.0 115.565 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE 0.271 7.3 m-20 -48.2 -33.64 8.86 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 120.692 3.59 . . . . 0.0 120.692 179.23 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.45 -8.86 84.37 Favored Glycine 0 N--CA 1.43 -1.758 0 CA-C-N 120.196 1.362 . . . . 0.0 114.974 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -91.54 167.78 11.99 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 125.452 2.549 . . . . 0.0 110.299 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 44.9 p -107.75 160.19 15.91 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.94 -1.725 . . . . 0.0 112.752 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 mt -51.09 -42.6 60.73 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.034 1.865 . . . . 0.0 116.034 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -63.45 -36.77 84.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 130.224 3.41 . . . . 0.0 113.723 173.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -59.18 -26.4 64.77 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.954 -2.341 . . . . 0.0 115.995 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -97.31 9.28 42.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 127.849 2.46 . . . . 0.0 114.054 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.321 60.2 t30 57.87 44.71 19.59 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.798 2.09 . . . . 0.0 112.302 175.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.52 122.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.955 1.702 . . . . 0.0 107.741 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -119.79 -174.61 2.79 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.711 1.605 . . . . 0.0 108.531 -167.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -65.09 142.41 58.39 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 118.717 -2.489 . . . . 0.0 111.462 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.286 92.5 mt-10 57.79 28.54 16.09 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 m -72.95 143.37 47.68 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 118.176 -2.827 . . . . 0.0 114.203 170.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.328 34.3 m -103.45 109.93 21.75 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.879 -1.138 . . . . 0.0 110.621 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.63 138.92 31.05 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 127.891 2.476 . . . . 0.0 110.428 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -104.65 132.13 51.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.101 -2.249 . . . . 0.0 107.765 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 tp -106.26 117.41 33.96 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.94 -2.35 . . . . 0.0 112.642 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.5 t -118.86 141.46 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-O 126.245 2.926 . . . . 0.0 103.777 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -87.76 147.14 25.32 Favored 'General case' 0 N--CA 1.43 -1.448 1 O-C-N 115.508 -4.495 . . . . 0.0 110.165 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -68.52 148.51 50.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 125.894 2.759 . . . . 0.0 112.078 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.5 mt -66.67 161.41 23.44 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 118.881 -2.387 . . . . 0.0 113.693 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.349 12.0 tpt180 -52.92 127.25 23.03 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 176.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.41 12.12 9.64 Favored Glycine 0 N--CA 1.43 -1.765 0 CA-C-N 121.738 2.063 . . . . 0.0 116.596 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.745 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 173.19 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.307 0.0 OUTLIER . . . . . 0 CA--C 1.49 -1.331 0 CA-C-O 121.743 0.782 . . . . 0.0 110.533 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 48.2 mt-30 -96.84 154.36 17.34 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.361 -2.712 . . . . 0.0 109.01 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.8 pt -147.95 157.93 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 130.708 3.603 . . . . 0.0 109.924 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -112.23 131.83 55.27 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 124.279 1.032 . . . . 0.0 109.103 -171.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -120.13 106.91 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 O-C-N 119.151 -2.218 . . . . 0.0 106.723 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -89.6 129.84 35.99 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 125.435 2.541 . . . . 0.0 110.704 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -92.89 164.73 13.21 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 117.556 -3.215 . . . . 0.0 112.295 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.78 -30.44 67.57 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.58 -2.575 . . . . 0.0 113.689 171.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.9 p -91.3 21.73 4.28 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-O 124.706 2.193 . . . . 0.0 116.562 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.04 0.91 77.96 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 112.047 -2.342 . . . . 0.0 114.055 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -83.3 144.86 29.42 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 121.996 2.898 . . . . 0.0 113.382 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.3 m -112.2 117.16 31.8 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-O 123.74 1.733 . . . . 0.0 110.07 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.7 mt -95.64 137.73 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 CA-C-O 114.721 -2.561 . . . . 0.0 112.329 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 m -110.96 129.89 55.75 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 122.255 2.298 . . . . 0.0 108.386 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 86.2 mt -120.77 150.24 41.3 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.848 2.059 . . . . 0.0 113.565 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -113.5 109.02 17.98 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.22 178.47 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 119.501 -1.999 . . . . 0.0 111.069 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -129.27 137.61 31.36 Favored Pre-proline 0 N--CA 1.429 -1.479 0 O-C-N 117.667 -3.146 . . . . 0.0 106.263 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . 0.406 34.5 Cg_exo -42.21 -30.89 1.5 Allowed 'Trans proline' 0 C--N 1.3 -2.023 1 N-CA-C 124.023 4.586 . . . . 0.0 124.023 -178.681 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m -85.65 -5.41 59.27 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 125.809 1.643 . . . . 0.0 114.978 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.66 142.43 57.44 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 118.72 -2.487 . . . . 0.0 108.739 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 55' ' ' THR 0.285 14.2 p -86.9 152.35 22.52 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.17 1.788 . . . . 0.0 110.197 173.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 24.7 mm -50.39 -25.71 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.811 2.444 . . . . 0.0 115.368 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -74.65 -21.27 59.52 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -71.43 -38.31 71.37 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 126.709 3.147 . . . . 0.0 109.358 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.6 t -76.16 -35.19 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 117.476 -3.265 . . . . 0.0 110.73 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -70.41 -32.96 70.81 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 124.84 2.257 . . . . 0.0 110.876 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.46 -28.82 67.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 119.07 -2.269 . . . . 0.0 114.885 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -74.82 -39.07 61.87 Favored 'General case' 0 N--CA 1.43 -1.474 0 O-C-N 117.752 -3.093 . . . . 0.0 108.492 171.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.302 61.5 mt -57.96 -32.93 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 120.286 -1.509 . . . . 0.0 111.537 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -69.72 -37.06 76.39 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -79.22 -7.3 58.15 Favored 'General case' 0 N--CA 1.43 -1.449 1 O-C-N 114.978 -4.826 . . . . 0.0 113.669 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -107.64 -40.37 5.33 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 121.197 -0.94 . . . . 0.0 111.966 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -112.54 -6.99 13.92 Favored 'General case' 0 N--CA 1.429 -1.483 1 N-CA-C 124.536 5.013 . . . . 0.0 124.536 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.33 8.75 87.05 Favored Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 121.06 3.184 . . . . 0.0 121.06 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.2 mt -84.03 118.88 72.46 Favored Pre-proline 0 N--CA 1.43 -1.457 0 C-N-CA 129.675 3.19 . . . . 0.0 108.085 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -68.2 148.13 74.08 Favored 'Trans proline' 0 C--N 1.3 -2.021 0 O-C-N 124.421 1.748 . . . . 0.0 111.866 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -54.6 -34.44 82.94 Favored 'Trans proline' 0 C--N 1.3 -2.006 0 C-N-CA 125.228 3.952 . . . . 0.0 119.246 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.321 74.9 m-20 -63.74 -13.67 45.6 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -109.29 -5.19 15.97 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 126.485 1.914 . . . . 0.0 108.56 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -100.22 133.97 43.83 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -117.06 122.53 44.43 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 129.183 2.993 . . . . 0.0 110.26 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.2 mt -102.37 127.54 49.33 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 117.485 -3.259 . . . . 0.0 105.157 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.261 37.9 mm -127.01 141.25 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 1 N-CA-C 99.449 -4.278 . . . . 0.0 99.449 -176.515 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -146.6 126.75 13.79 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 119.382 -2.074 . . . . 0.0 106.432 174.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.96 39.83 26.94 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 119.167 -2.208 . . . . 0.0 116.168 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.43 9.5 84.48 Favored Glycine 0 N--CA 1.43 -1.752 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -130.44 129.48 43.05 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.285 2.634 . . . . 0.0 110.693 -169.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -71.65 146.7 48.13 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 118.786 -2.446 . . . . 0.0 111.52 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -99.28 134.12 42.6 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.922 2.089 . . . . 0.0 108.695 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -97.0 129.16 44.51 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 126.499 1.919 . . . . 0.0 115.565 -176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE 0.271 7.3 m-20 -48.2 -33.64 8.86 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 120.692 3.59 . . . . 0.0 120.692 179.23 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.45 -8.86 84.37 Favored Glycine 0 N--CA 1.43 -1.758 0 CA-C-N 120.196 1.362 . . . . 0.0 114.974 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -91.54 167.78 11.99 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 125.452 2.549 . . . . 0.0 110.299 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 44.9 p -107.75 160.19 15.91 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.94 -1.725 . . . . 0.0 112.752 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 mt -51.09 -42.6 60.73 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.034 1.865 . . . . 0.0 116.034 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -63.45 -36.77 84.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 130.224 3.41 . . . . 0.0 113.723 173.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -59.18 -26.4 64.77 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 118.954 -2.341 . . . . 0.0 115.995 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -97.31 9.28 42.69 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 127.849 2.46 . . . . 0.0 114.054 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.321 60.2 t30 57.87 44.71 19.59 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 121.798 2.09 . . . . 0.0 112.302 175.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.9 mt -90.52 122.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 125.955 1.702 . . . . 0.0 107.741 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -119.79 -174.61 2.79 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 125.711 1.605 . . . . 0.0 108.531 -167.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -65.09 142.41 58.39 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 118.717 -2.489 . . . . 0.0 111.462 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.286 92.5 mt-10 57.79 28.54 16.09 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 m -72.95 143.37 47.68 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 118.176 -2.827 . . . . 0.0 114.203 170.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.328 34.3 m -103.45 109.93 21.75 Favored 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.879 -1.138 . . . . 0.0 110.621 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.63 138.92 31.05 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 127.891 2.476 . . . . 0.0 110.428 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -104.65 132.13 51.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.101 -2.249 . . . . 0.0 107.765 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 tp -106.26 117.41 33.96 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 118.94 -2.35 . . . . 0.0 112.642 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.5 t -118.86 141.46 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-O 126.245 2.926 . . . . 0.0 103.777 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -87.76 147.14 25.32 Favored 'General case' 0 N--CA 1.43 -1.448 1 O-C-N 115.508 -4.495 . . . . 0.0 110.165 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -68.52 148.51 50.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 125.894 2.759 . . . . 0.0 112.078 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.5 mt -66.67 161.41 23.44 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 118.881 -2.387 . . . . 0.0 113.693 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.349 12.0 tpt180 -52.92 127.25 23.03 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 176.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.41 12.12 9.64 Favored Glycine 0 N--CA 1.43 -1.765 0 CA-C-N 121.738 2.063 . . . . 0.0 116.596 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.745 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 173.19 . . . . . . . . 0 0 . 1 stop_ save_