data_1fxt_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 1fxt _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.766 0.317 . . . . 42.89 111.537 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.415 HH12 ' CD ' ' A' ' 57' ' ' GLU . 23.9 ttp180 -61.36 -34.76 75.84 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 116.814 2.153 . . . . 39.87 116.814 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.65 -46.68 88.3 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 116.379 1.992 . . . . 35.05 116.379 166.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -84.34 43.61 0.97 Allowed 'General case' 0 CA--C 1.586 2.345 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.92 -66.92 0.37 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.355 -1.466 . . . . 28.45 109.599 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.253 13.6 mm -58.93 -42.41 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 0 N-CA-C 116.084 1.883 . . . . 24.45 116.084 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.9 mmm -57.34 -22.48 42.51 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 117.545 2.424 . . . . 33.71 117.545 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -68.46 -49.7 57.92 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.432 1.271 . . . . 32.15 114.432 163.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.36 -43.51 79.23 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 116.771 2.137 . . . . 22.62 116.771 166.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.2 mm -58.2 -54.52 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 CA-C-N 120.185 1.357 . . . . 25.47 113.502 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -62.32 -48.09 81.38 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 115.288 1.588 . . . . 37.1 115.288 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.6 67.36 Favored 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 118.143 2.646 . . . . 25.25 118.143 171.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -72.39 -43.41 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 120.024 1.284 . . . . 24.02 114.207 165.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -52.36 -47.44 66.13 Favored 'General case' 0 CA--C 1.577 2.016 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -65.98 -24.96 66.89 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 117.201 2.297 . . . . 25.87 117.201 173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -122.04 88.76 48.18 Favored Pre-proline 0 CA--C 1.582 2.193 0 O-C-N 120.674 -1.266 . . . . 24.92 113.179 -170.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -61.22 -27.68 83.98 Favored 'Trans proline' 0 CA--C 1.571 2.339 0 N-CA-C 119.503 2.847 . . . . 27.19 119.503 164.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.57 71.0 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 117.68 2.474 . . . . 28.68 117.68 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.33 -9.77 9.14 Favored 'General case' 0 CA--C 1.578 2.045 0 N-CA-C 119.737 3.236 . . . . 28.58 119.737 165.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.7 m170 71.58 9.85 6.4 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 118.877 2.917 . . . . 36.59 118.877 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mm -106.17 138.2 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.392 -1.442 . . . . 24.03 110.659 -171.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.0 p -105.96 127.54 53.21 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.832 -1.167 . . . . 23.75 109.656 153.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.1 mt -100.34 79.9 2.19 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.09 -1.006 . . . . 24.52 109.289 164.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -99.89 119.49 38.3 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 123.757 0.823 . . . . 42.7 111.347 -171.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -67.43 144.89 55.52 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.292 1.96 . . . . 24.44 116.292 -168.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.15 -34.63 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.009 0 N-CA-C 114.052 1.13 . . . . 30.5 114.052 174.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 p -81.13 -93.39 0.05 OUTLIER 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 120.832 1.651 . . . . 31.88 112.798 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -136.82 -73.45 0.43 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 124.364 1.066 . . . . 35.99 109.207 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 t -146.3 75.15 1.39 Allowed 'General case' 0 CA--C 1.566 1.573 0 O-C-N 120.93 -1.107 . . . . 38.63 110.815 167.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.307 2.2 p30 -83.89 -142.47 0.07 Allowed 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 113.948 1.092 . . . . 35.01 113.948 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.75 24.12 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 O-C-N 120.502 -1.374 . . . . 34.75 114.571 174.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -159.2 -57.65 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 119.59 -1.944 . . . . 37.79 115.423 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -92.99 105.13 17.28 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 120.552 1.524 . . . . 34.55 112.557 -160.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 mt -126.55 138.38 53.47 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 115.311 -0.859 . . . . 20.84 112.315 -160.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -81.1 97.95 7.78 Favored 'General case' 0 CA--C 1.568 1.67 0 O-C-N 121.25 -0.906 . . . . 20.58 109.374 152.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.68 105.91 2.98 Favored Glycine 0 N--CA 1.487 2.094 0 O-C-N 121.2 -0.937 . . . . 19.79 112.351 172.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 p -119.46 118.98 32.56 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 117.539 0.669 . . . . 21.16 111.012 -164.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -101.54 160.96 14.0 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.857 1.058 . . . . 18.98 113.857 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -88.05 140.42 29.51 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 121.181 -0.95 . . . . 21.27 112.693 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.55 126.67 40.21 Favored Glycine 0 CA--C 1.565 3.208 0 N-CA-C 120.248 2.859 . . . . 23.78 120.248 -173.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.38 115.46 2.52 Favored 'Trans proline' 0 CA--C 1.581 2.866 0 CA-C-N 122.122 2.961 . . . . 23.48 118.19 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -78.19 156.35 29.67 Favored 'Trans proline' 0 CA--C 1.566 2.101 0 CA-C-N 122.871 2.061 . . . . 25.59 117.419 -168.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' C ' ' HG1' ' A' ' 45' ' ' THR . . . 66.21 49.01 60.21 Favored Glycine 0 N--CA 1.496 2.685 0 N-CA-C 117.036 1.574 . . . . 24.94 117.036 -172.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.405 ' HG1' ' C ' ' A' ' 44' ' ' GLY . 31.8 m -173.93 149.24 1.49 Allowed Pre-proline 0 CA--C 1.581 2.169 0 C-N-CA 125.158 1.383 . . . . 23.76 107.499 -162.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -47.08 -10.46 0.06 OUTLIER 'Trans proline' 0 CA--C 1.575 2.551 0 N-CA-C 122.286 3.918 . . . . 20.59 122.286 166.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -107.56 15.26 24.94 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 116.002 1.852 . . . . 21.28 116.002 175.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.12 141.13 56.34 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 116.727 2.121 . . . . 33.27 116.727 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.64 78.67 0.12 Allowed Glycine 0 N--CA 1.496 2.649 0 N-CA-C 118.198 2.039 . . . . 24.75 118.198 160.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.28 153.34 11.2 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 114.797 0.679 . . . . 22.69 114.797 -172.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -87.03 105.81 17.41 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 121.556 -0.967 . . . . 40.14 111.401 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -90.89 96.11 10.47 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.633 0.773 . . . . 20.54 111.537 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.6 120.86 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 C-N-CA 123.525 0.73 . . . . 17.4 112.253 -165.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.4 t -119.89 117.62 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 C-N-CA 123.417 0.687 . . . . 15.45 109.815 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.43 133.67 43.78 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 121.034 -1.041 . . . . 17.68 112.395 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.1 mt -136.27 111.66 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.275 -0.891 . . . . 18.84 109.967 -166.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' CD ' HH12 ' A' ' 3' ' ' ARG . 25.8 tp10 -91.05 105.9 18.14 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 109.071 -0.715 . . . . 36.21 109.071 150.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.24 94.66 0.17 Allowed Pre-proline 0 N--CA 1.502 2.127 0 CA-C-O 116.531 -1.699 . . . . 27.97 109.159 165.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.73 163.8 15.05 Favored 'Trans proline' 0 CA--C 1.562 1.914 0 CA-C-N 125.009 2.824 . . . . 29.46 118.291 -154.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 82.6 mtp -35.96 -46.02 0.45 Allowed 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 120.111 3.375 . . . . 40.94 120.111 -170.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -79.5 19.22 0.64 Allowed 'General case' 0 CA--C 1.592 2.558 0 N-CA-C 116.738 2.125 . . . . 42.19 116.738 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -62.56 119.38 49.99 Favored Pre-proline 0 CA--C 1.578 2.029 0 O-C-N 119.445 -2.034 . . . . 25.82 112.4 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.36 -16.38 19.46 Favored 'Trans proline' 0 CA--C 1.562 1.908 1 N-CA-C 123.299 4.307 . . . . 22.39 123.299 33.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -78.08 -25.6 47.74 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 117.731 2.493 . . . . 27.32 117.731 -171.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -91.92 137.79 25.1 Favored Pre-proline 0 CA--C 1.577 2.008 0 CA-C-N 120.376 1.444 . . . . 41.69 114.787 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.04 149.49 41.65 Favored 'Trans proline' 0 CA--C 1.577 2.636 0 C-N-CA 122.328 2.019 . . . . 23.14 116.565 176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.44 135.49 42.83 Favored 'Trans proline' 0 CA--C 1.566 2.082 0 C-N-CA 123.026 2.484 . . . . 22.53 116.692 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.53 84.92 3.91 Favored 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 123.587 0.755 . . . . 0.0 110.854 168.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.1 mtt -87.23 104.1 16.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.794 -0.566 . . . . 22.04 112.091 -170.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -123.94 107.0 10.88 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-O 122.274 1.035 . . . . 38.26 111.306 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.29 122.07 17.09 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 115.78 1.77 . . . . 16.42 115.78 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.88 -56.95 8.06 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 123.893 0.877 . . . . 18.39 112.251 158.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -60.35 110.86 1.35 Allowed 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.868 1.267 . . . . 17.2 112.339 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -78.76 128.99 34.15 Favored 'General case' 0 CA--C 1.564 1.509 0 O-C-N 120.735 -1.228 . . . . 23.87 113.607 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.7 t -125.52 124.31 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.775 -0.824 . . . . 19.8 108.775 -167.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -84.21 86.26 7.26 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.921 -1.112 . . . . 20.38 111.604 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -145.66 138.95 14.33 Favored Pre-proline 0 CA--C 1.583 2.239 0 CA-C-O 118.015 -0.993 . . . . 17.38 112.197 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.78 -38.86 57.71 Favored 'Trans proline' 0 CA--C 1.571 2.336 0 N-CA-C 120.499 3.23 . . . . 19.16 120.499 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.24 -12.23 38.61 Favored 'General case' 0 CA--C 1.586 2.336 0 N-CA-C 116.191 1.923 . . . . 18.69 116.191 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.16 131.11 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 120.152 -1.592 . . . . 20.65 107.51 -171.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 t -71.0 125.28 26.42 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.83 2.159 . . . . 21.5 116.83 -165.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.9 p -67.53 -40.46 85.06 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 117.036 2.236 . . . . 27.64 117.036 164.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.9 t -93.79 -57.16 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 C-N-CA 123.958 0.903 . . . . 27.88 111.679 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.6 p -80.07 -53.01 7.1 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 115.467 1.655 . . . . 25.49 115.467 -169.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.64 -40.84 1.82 Allowed Glycine 0 N--CA 1.494 2.566 0 N-CA-C 116.666 1.426 . . . . 21.91 116.666 -155.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.75 166.55 0.93 Allowed 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 118.254 2.687 . . . . 20.02 118.254 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 60.3 mt -136.66 143.19 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 120.983 -1.073 . . . . 19.18 109.141 -174.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 105.28 15.23 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.635 -1.291 . . . . 30.5 110.724 162.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.5 tp -147.89 106.85 3.84 Favored 'General case' 0 CA--C 1.569 1.683 0 N-CA-C 106.507 -1.664 . . . . 24.74 106.507 152.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.0 -49.6 74.05 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -159.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . 0.297 2.1 pp -63.27 -21.71 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.543 0 N-CA-C 116.744 2.127 . . . . 27.93 116.744 171.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.4 tp -73.04 -45.5 57.26 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 115.458 1.651 . . . . 31.94 115.458 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -101.16 -24.89 14.19 Favored 'General case' 0 CA--C 1.58 2.132 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -120.3 -63.22 1.38 Allowed 'General case' 0 CA--C 1.574 1.882 0 C-N-CA 124.871 1.268 . . . . 42.53 112.106 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.55 78.45 2.39 Favored 'General case' 0 CA--C 1.571 1.785 0 O-C-N 120.816 -1.177 . . . . 31.73 113.988 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -76.1 141.28 42.02 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 115.826 1.787 . . . . 25.39 115.826 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.4 t -85.27 114.18 54.73 Favored Pre-proline 0 CA--C 1.578 2.028 0 CA-C-O 117.567 -1.206 . . . . 26.61 110.095 158.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -52.38 -18.15 7.53 Favored 'Trans proline' 0 CA--C 1.566 2.09 1 N-CA-C 122.575 4.029 . . . . 23.68 122.575 -172.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 m -105.41 28.9 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 N-CA-C 116.082 1.882 . . . . 21.53 116.082 174.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 mt -81.61 119.2 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 119.372 -2.08 . . . . 19.68 108.762 166.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.0 p -75.05 149.07 39.29 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.059 -1.026 . . . . 14.54 113.343 170.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.26 -32.86 68.78 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 116.347 1.98 . . . . 16.45 116.347 166.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -52.69 -39.05 61.57 Favored 'General case' 0 CA--C 1.581 2.168 0 N-CA-C 116.66 2.096 . . . . 28.93 116.66 160.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.7 t -73.81 -41.04 62.91 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 116.534 2.05 . . . . 19.87 116.534 163.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.49 91.12 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 118.083 2.623 . . . . 16.53 118.083 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.93 -35.3 78.19 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-N 120.693 1.588 . . . . 18.75 115.109 170.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.49 -30.06 48.25 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.457 0 O-C-N 120.636 -1.29 . . . . 18.97 114.023 163.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.2 t -60.29 -43.83 95.9 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 116.737 2.125 . . . . 18.76 116.737 163.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.82 -41.24 99.23 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 115.661 1.726 . . . . 19.23 115.661 169.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.03 -54.78 25.88 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 115.273 1.582 . . . . 20.97 115.273 165.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.01 72.95 Favored 'General case' 0 CA--C 1.579 2.091 0 N-CA-C 118.087 2.625 . . . . 18.76 118.087 168.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.65 -46.1 91.6 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 119.826 -1.796 . . . . 19.55 115.226 165.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.9 mt -64.1 -40.25 95.81 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 117.022 2.23 . . . . 18.57 117.022 167.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -50.72 -29.29 10.95 Favored 'General case' 0 N--CA 1.502 2.145 0 N-CA-C 119.699 3.222 . . . . 34.01 119.699 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.2 m -145.3 91.17 5.9 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 120.516 -1.365 . . . . 22.18 109.203 173.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -64.87 144.5 83.36 Favored 'Trans proline' 0 CA--C 1.563 1.969 0 N-CA-C 118.456 2.445 . . . . 22.89 118.456 -170.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -144.38 131.21 10.2 Favored Pre-proline 0 CA--C 1.58 2.125 0 C-N-CA 123.88 0.872 . . . . 30.68 111.28 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -84.94 73.37 4.35 Favored 'Trans proline' 0 CA--C 1.571 2.374 0 C-N-CA 122.701 2.267 . . . . 22.47 113.377 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -126.73 -59.09 1.29 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.551 0.945 . . . . 25.74 113.551 -165.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -92.17 103.65 8.88 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-N 119.885 1.22 . . . . 37.09 108.39 163.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -87.49 130.51 2.81 Favored 'Trans proline' 0 CA--C 1.567 2.16 0 CA-C-N 122.987 2.103 . . . . 27.93 115.887 -167.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -105.77 -89.52 0.43 Allowed 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 123.308 0.643 . . . . 30.18 111.13 169.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -81.83 103.55 11.58 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 119.634 1.106 . . . . 38.16 109.618 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.67 85.2 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 118.725 2.861 . . . . 28.98 118.725 -168.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.7 -28.06 69.34 Favored 'General case' 0 CA--C 1.575 1.927 0 N-CA-C 116.842 2.164 . . . . 41.01 116.842 168.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.09 -41.07 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.104 -1.622 . . . . 22.76 113.606 166.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.33 85.83 Favored 'General case' 0 CA--C 1.575 1.926 0 N-CA-C 116.664 2.098 . . . . 22.48 116.664 164.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.56 -49.58 64.64 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.531 1.678 . . . . 24.35 115.531 163.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -52.51 -55.84 19.31 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 114.604 1.335 . . . . 21.44 114.604 169.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.73 -35.45 76.37 Favored 'General case' 0 CA--C 1.578 2.055 0 N-CA-C 117.358 2.355 . . . . 23.1 117.358 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.07 -46.32 85.64 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 115.847 1.795 . . . . 26.87 115.847 162.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.3 ttp85 -67.58 -35.75 79.6 Favored 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 117.749 2.5 . . . . 38.2 117.749 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -118.85 147.93 43.43 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 119.373 0.988 . . . . 29.82 113.592 -154.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.0 tpp85 -141.9 42.86 1.7 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 114.838 1.421 . . . . 25.13 114.838 149.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . 0.278 0.9 OUTLIER -140.85 -60.57 0.5 Allowed 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.525 1.13 . . . . 0.0 111.62 179.461 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.8 t -66.36 -24.98 66.59 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 117.96 2.578 . . . . 25.0 117.96 167.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.6 -44.79 95.42 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-N 121.103 1.774 . . . . 21.12 114.124 161.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -63.76 -32.38 73.86 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 115.84 1.793 . . . . 21.65 115.84 166.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -62.63 -54.3 41.63 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 120.88 1.673 . . . . 35.24 114.438 162.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 32.5 m -74.86 -53.39 9.16 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 120.044 1.293 . . . . 22.65 114.378 -173.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.61 90.91 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 117.527 2.417 . . . . 17.07 117.527 176.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.58 -42.53 91.65 Favored 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 116.572 2.064 . . . . 19.78 116.572 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 48.2 tp -58.25 -50.33 73.94 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.361 1.615 . . . . 21.74 115.361 165.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -58.38 -41.49 84.95 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.814 1.783 . . . . 19.9 115.814 173.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 87.5 m -59.1 -47.97 83.32 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.125 1.528 . . . . 22.33 115.125 166.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 27.9 mmt-85 -64.87 -27.42 68.85 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 116.59 2.07 . . . . 47.8 116.59 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.82 -65.02 1.05 Allowed 'General case' 0 CA--C 1.576 1.951 0 CA-C-N 120.048 1.295 . . . . 20.86 113.611 172.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -70.97 -39.25 72.64 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 116.621 2.082 . . . . 25.8 116.621 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -92.29 71.54 5.28 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-N 119.772 1.169 . . . . 25.03 112.134 170.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 125.443 2.544 . . . . 0.0 113.868 -178.141 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptt? . . . . . 0 CA--C 1.566 1.582 0 N-CA-C 114.791 1.404 . . . . 17.17 114.791 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -113.16 87.21 2.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.418 -0.801 . . . . 21.89 109.926 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -81.26 140.39 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.316 -0.865 . . . . 10.83 111.78 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -100.02 122.46 42.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.593 -1.317 . . . . 10.61 111.42 -166.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 73.0 t -93.17 111.65 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.024 -1.047 . . . . 9.13 109.079 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -78.64 102.47 8.01 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 123.786 0.835 . . . . 20.55 110.689 174.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -78.8 167.49 21.1 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.009 1.114 . . . . 11.78 114.009 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 18.8 mt -96.01 57.85 1.82 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.708 -1.245 . . . . 19.31 112.462 156.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.2 p -137.46 -33.65 0.73 Allowed 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 114.685 1.365 . . . . 23.14 114.685 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.39 -53.58 0.68 Allowed Glycine 0 N--CA 1.497 2.706 0 CA-C-N 119.238 0.926 . . . . 19.74 114.146 -156.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.13 112.97 2.59 Favored 'General case' 0 CA--C 1.576 1.959 0 C-N-CA 124.609 1.164 . . . . 21.93 113.178 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 66.8 m -106.68 142.18 36.73 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.95 0.881 . . . . 12.33 111.317 -172.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . 0.274 0.1 OUTLIER -114.59 132.12 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.067 -1.021 . . . . 17.08 110.795 -159.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 57.0 p -78.15 134.9 37.59 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.148 -0.97 . . . . 16.3 111.934 162.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 tp -121.76 115.54 22.87 Favored 'General case' 0 CA--C 1.565 1.555 0 O-C-N 121.332 -0.855 . . . . 15.88 110.889 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -95.63 105.56 17.56 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.442 0.697 . . . . 28.9 110.087 -164.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.0 m -145.69 167.53 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 122.211 1.005 . . . . 12.05 112.617 -160.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -131.01 168.79 15.72 Favored Pre-proline 0 CA--C 1.589 2.469 0 O-C-N 120.711 -1.243 . . . . 18.17 109.415 147.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -49.53 -18.35 2.4 Favored 'Trans proline' 0 CA--C 1.573 2.445 0 N-CA-C 122.272 3.912 . . . . 8.16 122.272 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 95.6 p -69.79 -19.97 63.48 Favored 'General case' 0 CA--C 1.575 1.92 0 N-CA-C 119.692 3.219 . . . . 11.13 119.692 164.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.74 134.08 56.73 Favored 'General case' 0 CA--C 1.582 2.198 0 CA-C-N 120.582 1.537 . . . . 18.03 113.401 -176.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -77.67 154.62 31.98 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.396 -1.44 . . . . 10.22 113.84 -174.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . 0.271 30.2 mm -67.45 -36.31 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.575 0 O-C-N 120.048 -1.657 . . . . 12.3 114.159 171.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -32.06 -63.7 0.18 Allowed 'General case' 0 CA--C 1.585 2.301 0 N-CA-C 117.546 2.424 . . . . 36.51 117.546 144.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -63.42 -35.07 79.22 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 116.51 2.041 . . . . 25.66 116.51 173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.2 t -53.47 -54.93 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 120.593 -1.317 . . . . 8.12 113.262 162.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.81 -39.62 89.67 Favored 'General case' 0 CA--C 1.571 1.75 0 N-CA-C 116.741 2.126 . . . . 15.47 116.741 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.83 80.11 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.497 2.036 . . . . 11.45 116.497 165.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.82 -20.69 65.98 Favored 'General case' 0 CA--C 1.58 2.11 0 N-CA-C 117.707 2.484 . . . . 24.98 117.707 171.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mt -81.64 -46.47 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 CA-C-N 120.023 1.283 . . . . 9.46 112.093 166.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -56.75 -31.86 65.0 Favored 'General case' 0 CA--C 1.583 2.235 0 N-CA-C 117.573 2.434 . . . . 14.76 117.573 168.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . 0.273 6.9 t70 -51.79 -85.48 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.193 0 C-N-CA 125.964 1.706 . . . . 26.29 114.853 165.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -79.78 -20.67 45.66 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 119.131 3.011 . . . . 30.06 119.131 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -97.0 -35.09 10.96 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.573 1.694 . . . . 25.19 115.573 169.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 17.05 73.27 Favored Glycine 0 N--CA 1.497 2.726 0 N-CA-C 119.135 2.414 . . . . 7.41 119.135 -170.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -83.48 122.44 76.95 Favored Pre-proline 0 CA--C 1.582 2.196 0 CA-C-N 119.264 1.532 . . . . 9.49 109.756 -170.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.68 135.97 63.61 Favored 'Trans proline' 0 CA--C 1.573 2.471 0 C-N-CA 123.215 2.61 . . . . 11.42 118.077 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -48.46 -34.76 26.69 Favored 'Trans proline' 0 CA--C 1.569 2.228 0 N-CA-C 120.692 3.305 . . . . 12.0 120.692 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.3 -38.2 81.38 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 116.141 1.904 . . . . 35.55 116.141 165.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -59.84 -32.81 71.02 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 116.114 1.894 . . . . 20.52 116.114 164.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -72.57 81.8 1.1 Allowed 'General case' 0 CA--C 1.577 2.014 0 N-CA-C 115.414 1.635 . . . . 7.13 115.414 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -87.59 90.81 8.51 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 120.738 -1.226 . . . . 36.39 109.369 168.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.0 mt -88.04 129.8 35.17 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.265 -0.897 . . . . 9.55 112.63 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.3 mm -123.88 133.29 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 C-N-CA 123.579 0.752 . . . . 13.9 109.958 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -143.75 96.24 2.87 Favored 'General case' 0 CA--C 1.574 1.885 0 O-C-N 120.91 -1.119 . . . . 6.86 112.544 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.41 86.72 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 117.464 2.394 . . . . 11.15 117.464 165.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.54 0.27 53.19 Favored Glycine 0 N--CA 1.499 2.9 0 N-CA-C 119.64 2.616 . . . . 13.93 119.64 -168.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -150.05 144.67 25.92 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 119.847 1.824 . . . . 23.92 111.644 -161.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -86.01 150.79 24.22 Favored 'General case' 0 CA--C 1.573 1.833 0 O-C-N 121.244 -0.91 . . . . 23.23 111.882 157.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -83.1 97.11 8.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.293 -0.879 . . . . 9.11 110.59 170.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.83 135.08 53.37 Favored 'General case' 0 CA--C 1.577 2.003 0 C-N-CA 124.281 1.032 . . . . 33.44 112.392 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.21 -46.85 85.09 Favored 'General case' 0 CA--C 1.577 2.003 0 N-CA-C 118.6 2.815 . . . . 28.37 118.6 -161.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.85 64.5 4.08 Favored Glycine 0 N--CA 1.501 3.033 0 O-C-N 119.786 -1.821 . . . . 15.0 116.858 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -144.92 171.59 14.23 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 113.195 0.813 . . . . 25.5 113.195 -164.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.0 p -91.78 162.79 14.31 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.556 -1.34 . . . . 11.95 112.806 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.59 -38.88 78.91 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.141 1.904 . . . . 10.17 116.141 155.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.5 p -56.14 -34.68 66.35 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 119.127 3.01 . . . . 13.59 119.127 174.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -42.71 -36.61 1.48 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 118.219 2.674 . . . . 11.7 118.219 164.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -103.35 -2.23 27.4 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 116.741 2.126 . . . . 12.95 116.741 -166.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . 0.289 9.1 t-20 55.86 50.37 14.17 Favored 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 115.624 1.712 . . . . 25.45 115.624 -162.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.5 mt -87.2 96.33 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.688 -1.257 . . . . 14.6 108.042 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -83.29 165.31 19.45 Favored 'General case' 0 CA--C 1.57 1.739 0 C-N-CA 123.395 0.678 . . . . 33.23 112.557 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 135.65 56.42 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 116.267 1.951 . . . . 25.97 116.267 -175.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . 0.347 1.6 mp0 59.77 28.75 18.27 Favored 'General case' 0 CA--C 1.586 2.339 0 N-CA-C 117.678 2.473 . . . . 32.61 117.678 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.7 m -84.27 154.61 22.88 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.237 -1.54 . . . . 10.56 114.201 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 78.3 m -89.78 114.08 25.73 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.941 -1.099 . . . . 5.33 112.472 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.0 mt -87.33 125.95 34.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.628 -0.67 . . . . 11.66 110.792 168.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -93.5 97.15 10.34 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.786 -1.196 . . . . 16.3 111.472 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -82.38 111.02 18.04 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 123.695 0.798 . . . . 9.96 112.16 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.5 t -96.5 124.77 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.728 0 N-CA-C 108.45 -0.944 . . . . 9.76 108.45 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.2 mp -82.3 96.36 7.88 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.91 -1.119 . . . . 19.57 110.488 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -103.14 116.19 32.02 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.047 0.939 . . . . 35.08 111.413 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.0 -136.12 0.12 Allowed 'General case' 0 CA--C 1.578 2.045 0 O-C-N 121.407 -0.808 . . . . 32.31 110.359 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.7 60.01 0.8 Allowed 'General case' 0 CA--C 1.57 1.74 0 O-C-N 119.669 -1.894 . . . . 42.75 112.244 168.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.48 -64.79 0.06 OUTLIER Glycine 0 N--CA 1.496 2.679 0 N-CA-C 117.687 1.835 . . . . 36.31 117.687 -171.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 CA-C-O 119.005 -0.886 . . . . 36.2 113.365 179.384 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.766 0.317 . . . . 42.89 111.537 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -61.36 -34.76 75.84 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 116.814 2.153 . . . . 39.87 116.814 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.65 -46.68 88.3 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 116.379 1.992 . . . . 35.05 116.379 166.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -84.34 43.61 0.97 Allowed 'General case' 0 CA--C 1.586 2.345 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.92 -66.92 0.37 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.355 -1.466 . . . . 28.45 109.599 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.253 13.6 mm -58.93 -42.41 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 0 N-CA-C 116.084 1.883 . . . . 24.45 116.084 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.9 mmm -57.34 -22.48 42.51 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 117.545 2.424 . . . . 33.71 117.545 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -68.46 -49.7 57.92 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.432 1.271 . . . . 32.15 114.432 163.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.36 -43.51 79.23 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 116.771 2.137 . . . . 22.62 116.771 166.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.2 mm -58.2 -54.52 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 CA-C-N 120.185 1.357 . . . . 25.47 113.502 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -62.32 -48.09 81.38 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 115.288 1.588 . . . . 37.1 115.288 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.6 67.36 Favored 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 118.143 2.646 . . . . 25.25 118.143 171.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -72.39 -43.41 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 120.024 1.284 . . . . 24.02 114.207 165.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -52.36 -47.44 66.13 Favored 'General case' 0 CA--C 1.577 2.016 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -65.98 -24.96 66.89 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 117.201 2.297 . . . . 25.87 117.201 173.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -122.04 88.76 48.18 Favored Pre-proline 0 CA--C 1.582 2.193 0 O-C-N 120.674 -1.266 . . . . 24.92 113.179 -170.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -61.22 -27.68 83.98 Favored 'Trans proline' 0 CA--C 1.571 2.339 0 N-CA-C 119.503 2.847 . . . . 27.19 119.503 164.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.57 71.0 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 117.68 2.474 . . . . 28.68 117.68 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.33 -9.77 9.14 Favored 'General case' 0 CA--C 1.578 2.045 0 N-CA-C 119.737 3.236 . . . . 28.58 119.737 165.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.7 m170 71.58 9.85 6.4 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 118.877 2.917 . . . . 36.59 118.877 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mm -106.17 138.2 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.392 -1.442 . . . . 24.03 110.659 -171.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.0 p -105.96 127.54 53.21 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.832 -1.167 . . . . 23.75 109.656 153.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.1 mt -100.34 79.9 2.19 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.09 -1.006 . . . . 24.52 109.289 164.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -99.89 119.49 38.3 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 123.757 0.823 . . . . 42.7 111.347 -171.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -67.43 144.89 55.52 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.292 1.96 . . . . 24.44 116.292 -168.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.15 -34.63 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.009 0 N-CA-C 114.052 1.13 . . . . 30.5 114.052 174.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 p -81.13 -93.39 0.05 OUTLIER 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 120.832 1.651 . . . . 31.88 112.798 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -136.82 -73.45 0.43 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 124.364 1.066 . . . . 35.99 109.207 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 t -146.3 75.15 1.39 Allowed 'General case' 0 CA--C 1.566 1.573 0 O-C-N 120.93 -1.107 . . . . 38.63 110.815 167.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.307 2.2 p30 -83.89 -142.47 0.07 Allowed 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 113.948 1.092 . . . . 35.01 113.948 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.75 24.12 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 O-C-N 120.502 -1.374 . . . . 34.75 114.571 174.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -159.2 -57.65 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 119.59 -1.944 . . . . 37.79 115.423 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -92.99 105.13 17.28 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 120.552 1.524 . . . . 34.55 112.557 -160.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 mt -126.55 138.38 53.47 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 115.311 -0.859 . . . . 20.84 112.315 -160.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -81.1 97.95 7.78 Favored 'General case' 0 CA--C 1.568 1.67 0 O-C-N 121.25 -0.906 . . . . 20.58 109.374 152.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.68 105.91 2.98 Favored Glycine 0 N--CA 1.487 2.094 0 O-C-N 121.2 -0.937 . . . . 19.79 112.351 172.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 p -119.46 118.98 32.56 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 117.539 0.669 . . . . 21.16 111.012 -164.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -101.54 160.96 14.0 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.857 1.058 . . . . 18.98 113.857 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -88.05 140.42 29.51 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 121.181 -0.95 . . . . 21.27 112.693 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.55 126.67 40.21 Favored Glycine 0 CA--C 1.565 3.208 0 N-CA-C 120.248 2.859 . . . . 23.78 120.248 -173.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.38 115.46 2.52 Favored 'Trans proline' 0 CA--C 1.581 2.866 0 CA-C-N 122.122 2.961 . . . . 23.48 118.19 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -78.19 156.35 29.67 Favored 'Trans proline' 0 CA--C 1.566 2.101 0 CA-C-N 122.871 2.061 . . . . 25.59 117.419 -168.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.21 49.01 60.21 Favored Glycine 0 N--CA 1.496 2.685 0 N-CA-C 117.036 1.574 . . . . 24.94 117.036 -172.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.8 m -173.93 149.24 1.49 Allowed Pre-proline 0 CA--C 1.581 2.169 0 C-N-CA 125.158 1.383 . . . . 23.76 107.499 -162.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -47.08 -10.46 0.06 OUTLIER 'Trans proline' 0 CA--C 1.575 2.551 0 N-CA-C 122.286 3.918 . . . . 20.59 122.286 166.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -107.56 15.26 24.94 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 116.002 1.852 . . . . 21.28 116.002 175.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.12 141.13 56.34 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 116.727 2.121 . . . . 33.27 116.727 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.64 78.67 0.12 Allowed Glycine 0 N--CA 1.496 2.649 0 N-CA-C 118.198 2.039 . . . . 24.75 118.198 160.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.28 153.34 11.2 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 114.797 0.679 . . . . 22.69 114.797 -172.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -87.03 105.81 17.41 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 121.556 -0.967 . . . . 40.14 111.401 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -90.89 96.11 10.47 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.633 0.773 . . . . 20.54 111.537 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.6 120.86 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 C-N-CA 123.525 0.73 . . . . 17.4 112.253 -165.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.4 t -119.89 117.62 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 C-N-CA 123.417 0.687 . . . . 15.45 109.815 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.43 133.67 43.78 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 121.034 -1.041 . . . . 17.68 112.395 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.1 mt -136.27 111.66 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.275 -0.891 . . . . 18.84 109.967 -166.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -91.05 105.9 18.14 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 109.071 -0.715 . . . . 36.21 109.071 150.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.24 94.66 0.17 Allowed Pre-proline 0 N--CA 1.502 2.127 0 CA-C-O 116.531 -1.699 . . . . 27.97 109.159 165.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.73 163.8 15.05 Favored 'Trans proline' 0 CA--C 1.562 1.914 0 CA-C-N 125.009 2.824 . . . . 29.46 118.291 -154.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 82.6 mtp -35.96 -46.02 0.45 Allowed 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 120.111 3.375 . . . . 40.94 120.111 -170.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -79.5 19.22 0.64 Allowed 'General case' 0 CA--C 1.592 2.558 0 N-CA-C 116.738 2.125 . . . . 42.19 116.738 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -62.56 119.38 49.99 Favored Pre-proline 0 CA--C 1.578 2.029 0 O-C-N 119.445 -2.034 . . . . 25.82 112.4 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.36 -16.38 19.46 Favored 'Trans proline' 0 CA--C 1.562 1.908 1 N-CA-C 123.299 4.307 . . . . 22.39 123.299 33.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -78.08 -25.6 47.74 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 117.731 2.493 . . . . 27.32 117.731 -171.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -91.92 137.79 25.1 Favored Pre-proline 0 CA--C 1.577 2.008 0 CA-C-N 120.376 1.444 . . . . 41.69 114.787 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.04 149.49 41.65 Favored 'Trans proline' 0 CA--C 1.577 2.636 0 C-N-CA 122.328 2.019 . . . . 23.14 116.565 176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.44 135.49 42.83 Favored 'Trans proline' 0 CA--C 1.566 2.082 0 C-N-CA 123.026 2.484 . . . . 22.53 116.692 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.53 84.92 3.91 Favored 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 123.587 0.755 . . . . 0.0 110.854 168.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.1 mtt -87.23 104.1 16.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.794 -0.566 . . . . 22.04 112.091 -170.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -123.94 107.0 10.88 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-O 122.274 1.035 . . . . 38.26 111.306 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.29 122.07 17.09 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 115.78 1.77 . . . . 16.42 115.78 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.88 -56.95 8.06 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 123.893 0.877 . . . . 18.39 112.251 158.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -60.35 110.86 1.35 Allowed 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.868 1.267 . . . . 17.2 112.339 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -78.76 128.99 34.15 Favored 'General case' 0 CA--C 1.564 1.509 0 O-C-N 120.735 -1.228 . . . . 23.87 113.607 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.7 t -125.52 124.31 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.775 -0.824 . . . . 19.8 108.775 -167.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -84.21 86.26 7.26 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.921 -1.112 . . . . 20.38 111.604 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -145.66 138.95 14.33 Favored Pre-proline 0 CA--C 1.583 2.239 0 CA-C-O 118.015 -0.993 . . . . 17.38 112.197 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.78 -38.86 57.71 Favored 'Trans proline' 0 CA--C 1.571 2.336 0 N-CA-C 120.499 3.23 . . . . 19.16 120.499 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.24 -12.23 38.61 Favored 'General case' 0 CA--C 1.586 2.336 0 N-CA-C 116.191 1.923 . . . . 18.69 116.191 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.16 131.11 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 120.152 -1.592 . . . . 20.65 107.51 -171.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 t -71.0 125.28 26.42 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.83 2.159 . . . . 21.5 116.83 -165.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.9 p -67.53 -40.46 85.06 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 117.036 2.236 . . . . 27.64 117.036 164.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.9 t -93.79 -57.16 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 C-N-CA 123.958 0.903 . . . . 27.88 111.679 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.6 p -80.07 -53.01 7.1 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 115.467 1.655 . . . . 25.49 115.467 -169.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.64 -40.84 1.82 Allowed Glycine 0 N--CA 1.494 2.566 0 N-CA-C 116.666 1.426 . . . . 21.91 116.666 -155.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.75 166.55 0.93 Allowed 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 118.254 2.687 . . . . 20.02 118.254 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 60.3 mt -136.66 143.19 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 120.983 -1.073 . . . . 19.18 109.141 -174.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 105.28 15.23 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.635 -1.291 . . . . 30.5 110.724 162.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.5 tp -147.89 106.85 3.84 Favored 'General case' 0 CA--C 1.569 1.683 0 N-CA-C 106.507 -1.664 . . . . 24.74 106.507 152.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.0 -49.6 74.05 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -159.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . 0.297 2.1 pp -63.27 -21.71 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.543 0 N-CA-C 116.744 2.127 . . . . 27.93 116.744 171.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.4 tp -73.04 -45.5 57.26 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 115.458 1.651 . . . . 31.94 115.458 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -101.16 -24.89 14.19 Favored 'General case' 0 CA--C 1.58 2.132 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -120.3 -63.22 1.38 Allowed 'General case' 0 CA--C 1.574 1.882 0 C-N-CA 124.871 1.268 . . . . 42.53 112.106 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.55 78.45 2.39 Favored 'General case' 0 CA--C 1.571 1.785 0 O-C-N 120.816 -1.177 . . . . 31.73 113.988 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -76.1 141.28 42.02 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 115.826 1.787 . . . . 25.39 115.826 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.4 t -85.27 114.18 54.73 Favored Pre-proline 0 CA--C 1.578 2.028 0 CA-C-O 117.567 -1.206 . . . . 26.61 110.095 158.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -52.38 -18.15 7.53 Favored 'Trans proline' 0 CA--C 1.566 2.09 1 N-CA-C 122.575 4.029 . . . . 23.68 122.575 -172.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 m -105.41 28.9 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 N-CA-C 116.082 1.882 . . . . 21.53 116.082 174.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 mt -81.61 119.2 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 119.372 -2.08 . . . . 19.68 108.762 166.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.0 p -75.05 149.07 39.29 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.059 -1.026 . . . . 14.54 113.343 170.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.26 -32.86 68.78 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 116.347 1.98 . . . . 16.45 116.347 166.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -52.69 -39.05 61.57 Favored 'General case' 0 CA--C 1.581 2.168 0 N-CA-C 116.66 2.096 . . . . 28.93 116.66 160.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.7 t -73.81 -41.04 62.91 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 116.534 2.05 . . . . 19.87 116.534 163.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.49 91.12 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 118.083 2.623 . . . . 16.53 118.083 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.93 -35.3 78.19 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-N 120.693 1.588 . . . . 18.75 115.109 170.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.49 -30.06 48.25 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.457 0 O-C-N 120.636 -1.29 . . . . 18.97 114.023 163.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.2 t -60.29 -43.83 95.9 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 116.737 2.125 . . . . 18.76 116.737 163.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.82 -41.24 99.23 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 115.661 1.726 . . . . 19.23 115.661 169.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.03 -54.78 25.88 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 115.273 1.582 . . . . 20.97 115.273 165.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.01 72.95 Favored 'General case' 0 CA--C 1.579 2.091 0 N-CA-C 118.087 2.625 . . . . 18.76 118.087 168.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.65 -46.1 91.6 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 119.826 -1.796 . . . . 19.55 115.226 165.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.9 mt -64.1 -40.25 95.81 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 117.022 2.23 . . . . 18.57 117.022 167.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -50.72 -29.29 10.95 Favored 'General case' 0 N--CA 1.502 2.145 0 N-CA-C 119.699 3.222 . . . . 34.01 119.699 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.2 m -145.3 91.17 5.9 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 120.516 -1.365 . . . . 22.18 109.203 173.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -64.87 144.5 83.36 Favored 'Trans proline' 0 CA--C 1.563 1.969 0 N-CA-C 118.456 2.445 . . . . 22.89 118.456 -170.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -144.38 131.21 10.2 Favored Pre-proline 0 CA--C 1.58 2.125 0 C-N-CA 123.88 0.872 . . . . 30.68 111.28 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -84.94 73.37 4.35 Favored 'Trans proline' 0 CA--C 1.571 2.374 0 C-N-CA 122.701 2.267 . . . . 22.47 113.377 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -126.73 -59.09 1.29 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.551 0.945 . . . . 25.74 113.551 -165.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -92.17 103.65 8.88 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-N 119.885 1.22 . . . . 37.09 108.39 163.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -87.49 130.51 2.81 Favored 'Trans proline' 0 CA--C 1.567 2.16 0 CA-C-N 122.987 2.103 . . . . 27.93 115.887 -167.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -105.77 -89.52 0.43 Allowed 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 123.308 0.643 . . . . 30.18 111.13 169.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -81.83 103.55 11.58 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 119.634 1.106 . . . . 38.16 109.618 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.67 85.2 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 118.725 2.861 . . . . 28.98 118.725 -168.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.7 -28.06 69.34 Favored 'General case' 0 CA--C 1.575 1.927 0 N-CA-C 116.842 2.164 . . . . 41.01 116.842 168.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.09 -41.07 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.104 -1.622 . . . . 22.76 113.606 166.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.33 85.83 Favored 'General case' 0 CA--C 1.575 1.926 0 N-CA-C 116.664 2.098 . . . . 22.48 116.664 164.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.56 -49.58 64.64 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.531 1.678 . . . . 24.35 115.531 163.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -52.51 -55.84 19.31 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 114.604 1.335 . . . . 21.44 114.604 169.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.73 -35.45 76.37 Favored 'General case' 0 CA--C 1.578 2.055 0 N-CA-C 117.358 2.355 . . . . 23.1 117.358 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.07 -46.32 85.64 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 115.847 1.795 . . . . 26.87 115.847 162.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.3 ttp85 -67.58 -35.75 79.6 Favored 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 117.749 2.5 . . . . 38.2 117.749 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -118.85 147.93 43.43 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 119.373 0.988 . . . . 29.82 113.592 -154.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.0 tpp85 -141.9 42.86 1.7 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 114.838 1.421 . . . . 25.13 114.838 149.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . 0.278 0.9 OUTLIER -140.85 -60.57 0.5 Allowed 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.525 1.13 . . . . 0.0 111.62 179.461 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.8 t -66.36 -24.98 66.59 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 117.96 2.578 . . . . 25.0 117.96 167.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.6 -44.79 95.42 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-N 121.103 1.774 . . . . 21.12 114.124 161.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -63.76 -32.38 73.86 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 115.84 1.793 . . . . 21.65 115.84 166.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -62.63 -54.3 41.63 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 120.88 1.673 . . . . 35.24 114.438 162.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 32.5 m -74.86 -53.39 9.16 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 120.044 1.293 . . . . 22.65 114.378 -173.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.61 90.91 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 117.527 2.417 . . . . 17.07 117.527 176.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.58 -42.53 91.65 Favored 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 116.572 2.064 . . . . 19.78 116.572 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 48.2 tp -58.25 -50.33 73.94 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.361 1.615 . . . . 21.74 115.361 165.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -58.38 -41.49 84.95 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.814 1.783 . . . . 19.9 115.814 173.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 87.5 m -59.1 -47.97 83.32 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.125 1.528 . . . . 22.33 115.125 166.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 27.9 mmt-85 -64.87 -27.42 68.85 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 116.59 2.07 . . . . 47.8 116.59 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.82 -65.02 1.05 Allowed 'General case' 0 CA--C 1.576 1.951 0 CA-C-N 120.048 1.295 . . . . 20.86 113.611 172.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -70.97 -39.25 72.64 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 116.621 2.082 . . . . 25.8 116.621 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -92.29 71.54 5.28 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-N 119.772 1.169 . . . . 25.03 112.134 170.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 125.443 2.544 . . . . 0.0 113.868 -178.141 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptt? . . . . . 0 CA--C 1.566 1.582 0 N-CA-C 114.791 1.404 . . . . 17.17 114.791 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -113.16 87.21 2.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.418 -0.801 . . . . 21.89 109.926 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -81.26 140.39 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.316 -0.865 . . . . 10.83 111.78 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -100.02 122.46 42.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.593 -1.317 . . . . 10.61 111.42 -166.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 73.0 t -93.17 111.65 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.024 -1.047 . . . . 9.13 109.079 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -78.64 102.47 8.01 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 123.786 0.835 . . . . 20.55 110.689 174.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -78.8 167.49 21.1 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.009 1.114 . . . . 11.78 114.009 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 18.8 mt -96.01 57.85 1.82 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.708 -1.245 . . . . 19.31 112.462 156.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.2 p -137.46 -33.65 0.73 Allowed 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 114.685 1.365 . . . . 23.14 114.685 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.39 -53.58 0.68 Allowed Glycine 0 N--CA 1.497 2.706 0 CA-C-N 119.238 0.926 . . . . 19.74 114.146 -156.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.13 112.97 2.59 Favored 'General case' 0 CA--C 1.576 1.959 0 C-N-CA 124.609 1.164 . . . . 21.93 113.178 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 66.8 m -106.68 142.18 36.73 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.95 0.881 . . . . 12.33 111.317 -172.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . 0.274 0.1 OUTLIER -114.59 132.12 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.067 -1.021 . . . . 17.08 110.795 -159.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 57.0 p -78.15 134.9 37.59 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.148 -0.97 . . . . 16.3 111.934 162.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 tp -121.76 115.54 22.87 Favored 'General case' 0 CA--C 1.565 1.555 0 O-C-N 121.332 -0.855 . . . . 15.88 110.889 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -95.63 105.56 17.56 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.442 0.697 . . . . 28.9 110.087 -164.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.0 m -145.69 167.53 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 122.211 1.005 . . . . 12.05 112.617 -160.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -131.01 168.79 15.72 Favored Pre-proline 0 CA--C 1.589 2.469 0 O-C-N 120.711 -1.243 . . . . 18.17 109.415 147.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -49.53 -18.35 2.4 Favored 'Trans proline' 0 CA--C 1.573 2.445 0 N-CA-C 122.272 3.912 . . . . 8.16 122.272 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 95.6 p -69.79 -19.97 63.48 Favored 'General case' 0 CA--C 1.575 1.92 0 N-CA-C 119.692 3.219 . . . . 11.13 119.692 164.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.74 134.08 56.73 Favored 'General case' 0 CA--C 1.582 2.198 0 CA-C-N 120.582 1.537 . . . . 18.03 113.401 -176.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -77.67 154.62 31.98 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.396 -1.44 . . . . 10.22 113.84 -174.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . 0.271 30.2 mm -67.45 -36.31 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.575 0 O-C-N 120.048 -1.657 . . . . 12.3 114.159 171.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -32.06 -63.7 0.18 Allowed 'General case' 0 CA--C 1.585 2.301 0 N-CA-C 117.546 2.424 . . . . 36.51 117.546 144.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -63.42 -35.07 79.22 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 116.51 2.041 . . . . 25.66 116.51 173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.2 t -53.47 -54.93 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 120.593 -1.317 . . . . 8.12 113.262 162.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.81 -39.62 89.67 Favored 'General case' 0 CA--C 1.571 1.75 0 N-CA-C 116.741 2.126 . . . . 15.47 116.741 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.83 80.11 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.497 2.036 . . . . 11.45 116.497 165.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.82 -20.69 65.98 Favored 'General case' 0 CA--C 1.58 2.11 0 N-CA-C 117.707 2.484 . . . . 24.98 117.707 171.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mt -81.64 -46.47 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 CA-C-N 120.023 1.283 . . . . 9.46 112.093 166.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -56.75 -31.86 65.0 Favored 'General case' 0 CA--C 1.583 2.235 0 N-CA-C 117.573 2.434 . . . . 14.76 117.573 168.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . 0.273 6.9 t70 -51.79 -85.48 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.193 0 C-N-CA 125.964 1.706 . . . . 26.29 114.853 165.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -79.78 -20.67 45.66 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 119.131 3.011 . . . . 30.06 119.131 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -97.0 -35.09 10.96 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.573 1.694 . . . . 25.19 115.573 169.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 17.05 73.27 Favored Glycine 0 N--CA 1.497 2.726 0 N-CA-C 119.135 2.414 . . . . 7.41 119.135 -170.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -83.48 122.44 76.95 Favored Pre-proline 0 CA--C 1.582 2.196 0 CA-C-N 119.264 1.532 . . . . 9.49 109.756 -170.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.68 135.97 63.61 Favored 'Trans proline' 0 CA--C 1.573 2.471 0 C-N-CA 123.215 2.61 . . . . 11.42 118.077 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -48.46 -34.76 26.69 Favored 'Trans proline' 0 CA--C 1.569 2.228 0 N-CA-C 120.692 3.305 . . . . 12.0 120.692 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.3 -38.2 81.38 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 116.141 1.904 . . . . 35.55 116.141 165.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -59.84 -32.81 71.02 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 116.114 1.894 . . . . 20.52 116.114 164.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -72.57 81.8 1.1 Allowed 'General case' 0 CA--C 1.577 2.014 0 N-CA-C 115.414 1.635 . . . . 7.13 115.414 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -87.59 90.81 8.51 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 120.738 -1.226 . . . . 36.39 109.369 168.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.0 mt -88.04 129.8 35.17 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.265 -0.897 . . . . 9.55 112.63 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.3 mm -123.88 133.29 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 C-N-CA 123.579 0.752 . . . . 13.9 109.958 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -143.75 96.24 2.87 Favored 'General case' 0 CA--C 1.574 1.885 0 O-C-N 120.91 -1.119 . . . . 6.86 112.544 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.41 86.72 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 117.464 2.394 . . . . 11.15 117.464 165.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.54 0.27 53.19 Favored Glycine 0 N--CA 1.499 2.9 0 N-CA-C 119.64 2.616 . . . . 13.93 119.64 -168.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -150.05 144.67 25.92 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 119.847 1.824 . . . . 23.92 111.644 -161.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -86.01 150.79 24.22 Favored 'General case' 0 CA--C 1.573 1.833 0 O-C-N 121.244 -0.91 . . . . 23.23 111.882 157.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -83.1 97.11 8.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.293 -0.879 . . . . 9.11 110.59 170.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.83 135.08 53.37 Favored 'General case' 0 CA--C 1.577 2.003 0 C-N-CA 124.281 1.032 . . . . 33.44 112.392 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.21 -46.85 85.09 Favored 'General case' 0 CA--C 1.577 2.003 0 N-CA-C 118.6 2.815 . . . . 28.37 118.6 -161.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.85 64.5 4.08 Favored Glycine 0 N--CA 1.501 3.033 0 O-C-N 119.786 -1.821 . . . . 15.0 116.858 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -144.92 171.59 14.23 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 113.195 0.813 . . . . 25.5 113.195 -164.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.0 p -91.78 162.79 14.31 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.556 -1.34 . . . . 11.95 112.806 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.59 -38.88 78.91 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.141 1.904 . . . . 10.17 116.141 155.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.5 p -56.14 -34.68 66.35 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 119.127 3.01 . . . . 13.59 119.127 174.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -42.71 -36.61 1.48 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 118.219 2.674 . . . . 11.7 118.219 164.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -103.35 -2.23 27.4 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 116.741 2.126 . . . . 12.95 116.741 -166.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . 0.289 9.1 t-20 55.86 50.37 14.17 Favored 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 115.624 1.712 . . . . 25.45 115.624 -162.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.5 mt -87.2 96.33 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.688 -1.257 . . . . 14.6 108.042 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -83.29 165.31 19.45 Favored 'General case' 0 CA--C 1.57 1.739 0 C-N-CA 123.395 0.678 . . . . 33.23 112.557 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 135.65 56.42 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 116.267 1.951 . . . . 25.97 116.267 -175.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . 0.347 1.6 mp0 59.77 28.75 18.27 Favored 'General case' 0 CA--C 1.586 2.339 0 N-CA-C 117.678 2.473 . . . . 32.61 117.678 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.7 m -84.27 154.61 22.88 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.237 -1.54 . . . . 10.56 114.201 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 78.3 m -89.78 114.08 25.73 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.941 -1.099 . . . . 5.33 112.472 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.0 mt -87.33 125.95 34.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.628 -0.67 . . . . 11.66 110.792 168.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -93.5 97.15 10.34 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.786 -1.196 . . . . 16.3 111.472 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -82.38 111.02 18.04 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 123.695 0.798 . . . . 9.96 112.16 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.5 t -96.5 124.77 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.728 0 N-CA-C 108.45 -0.944 . . . . 9.76 108.45 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.2 mp -82.3 96.36 7.88 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.91 -1.119 . . . . 19.57 110.488 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -103.14 116.19 32.02 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.047 0.939 . . . . 35.08 111.413 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.0 -136.12 0.12 Allowed 'General case' 0 CA--C 1.578 2.045 0 O-C-N 121.407 -0.808 . . . . 32.31 110.359 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.7 60.01 0.8 Allowed 'General case' 0 CA--C 1.57 1.74 0 O-C-N 119.669 -1.894 . . . . 42.75 112.244 168.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.48 -64.79 0.06 OUTLIER Glycine 0 N--CA 1.496 2.679 0 N-CA-C 117.687 1.835 . . . . 36.31 117.687 -171.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 CA-C-O 119.005 -0.886 . . . . 36.2 113.365 179.384 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.766 0.317 . . . . 42.89 111.537 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -61.36 -34.76 75.84 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 116.814 2.153 . . . . 39.87 116.814 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.65 -46.68 88.3 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 116.379 1.992 . . . . 35.05 116.379 166.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -84.34 43.61 0.97 Allowed 'General case' 0 CA--C 1.586 2.345 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.92 -66.92 0.37 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.355 -1.466 . . . . 28.45 109.599 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.253 13.6 mm -58.93 -42.41 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 0 N-CA-C 116.084 1.883 . . . . 24.45 116.084 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.9 mmm -57.34 -22.48 42.51 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 117.545 2.424 . . . . 33.71 117.545 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -68.46 -49.7 57.92 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.432 1.271 . . . . 32.15 114.432 163.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.36 -43.51 79.23 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 116.771 2.137 . . . . 22.62 116.771 166.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.2 mm -58.2 -54.52 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 CA-C-N 120.185 1.357 . . . . 25.47 113.502 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -62.32 -48.09 81.38 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 115.288 1.588 . . . . 37.1 115.288 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.6 67.36 Favored 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 118.143 2.646 . . . . 25.25 118.143 171.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -72.39 -43.41 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 120.024 1.284 . . . . 24.02 114.207 165.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -52.36 -47.44 66.13 Favored 'General case' 0 CA--C 1.577 2.016 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -65.98 -24.96 66.89 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 117.201 2.297 . . . . 25.87 117.201 173.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -122.04 88.76 48.18 Favored Pre-proline 0 CA--C 1.582 2.193 0 O-C-N 120.674 -1.266 . . . . 24.92 113.179 -170.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -61.22 -27.68 83.98 Favored 'Trans proline' 0 CA--C 1.571 2.339 0 N-CA-C 119.503 2.847 . . . . 27.19 119.503 164.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.57 71.0 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 117.68 2.474 . . . . 28.68 117.68 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.33 -9.77 9.14 Favored 'General case' 0 CA--C 1.578 2.045 0 N-CA-C 119.737 3.236 . . . . 28.58 119.737 165.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.7 m170 71.58 9.85 6.4 Favored 'General case' 0 N--CA 1.506 2.369 0 N-CA-C 118.877 2.917 . . . . 36.59 118.877 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mm -106.17 138.2 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.392 -1.442 . . . . 24.03 110.659 -171.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.0 p -105.96 127.54 53.21 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.832 -1.167 . . . . 23.75 109.656 153.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.1 mt -100.34 79.9 2.19 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.09 -1.006 . . . . 24.52 109.289 164.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -99.89 119.49 38.3 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 123.757 0.823 . . . . 42.7 111.347 -171.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -67.43 144.89 55.52 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.292 1.96 . . . . 24.44 116.292 -168.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.15 -34.63 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.009 0 N-CA-C 114.052 1.13 . . . . 30.5 114.052 174.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 p -81.13 -93.39 0.05 OUTLIER 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 120.832 1.651 . . . . 31.88 112.798 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -136.82 -73.45 0.43 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 124.364 1.066 . . . . 35.99 109.207 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 t -146.3 75.15 1.39 Allowed 'General case' 0 CA--C 1.566 1.573 0 O-C-N 120.93 -1.107 . . . . 38.63 110.815 167.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.307 2.2 p30 -83.89 -142.47 0.07 Allowed 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 113.948 1.092 . . . . 35.01 113.948 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.75 24.12 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 O-C-N 120.502 -1.374 . . . . 34.75 114.571 174.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -159.2 -57.65 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 119.59 -1.944 . . . . 37.79 115.423 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -92.99 105.13 17.28 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 120.552 1.524 . . . . 34.55 112.557 -160.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 mt -126.55 138.38 53.47 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 115.311 -0.859 . . . . 20.84 112.315 -160.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -81.1 97.95 7.78 Favored 'General case' 0 CA--C 1.568 1.67 0 O-C-N 121.25 -0.906 . . . . 20.58 109.374 152.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.68 105.91 2.98 Favored Glycine 0 N--CA 1.487 2.094 0 O-C-N 121.2 -0.937 . . . . 19.79 112.351 172.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 p -119.46 118.98 32.56 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 117.539 0.669 . . . . 21.16 111.012 -164.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -101.54 160.96 14.0 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.857 1.058 . . . . 18.98 113.857 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -88.05 140.42 29.51 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 121.181 -0.95 . . . . 21.27 112.693 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.55 126.67 40.21 Favored Glycine 0 CA--C 1.565 3.208 0 N-CA-C 120.248 2.859 . . . . 23.78 120.248 -173.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.38 115.46 2.52 Favored 'Trans proline' 0 CA--C 1.581 2.866 0 CA-C-N 122.122 2.961 . . . . 23.48 118.19 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -78.19 156.35 29.67 Favored 'Trans proline' 0 CA--C 1.566 2.101 0 CA-C-N 122.871 2.061 . . . . 25.59 117.419 -168.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.21 49.01 60.21 Favored Glycine 0 N--CA 1.496 2.685 0 N-CA-C 117.036 1.574 . . . . 24.94 117.036 -172.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.8 m -173.93 149.24 1.49 Allowed Pre-proline 0 CA--C 1.581 2.169 0 C-N-CA 125.158 1.383 . . . . 23.76 107.499 -162.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -47.08 -10.46 0.06 OUTLIER 'Trans proline' 0 CA--C 1.575 2.551 0 N-CA-C 122.286 3.918 . . . . 20.59 122.286 166.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -107.56 15.26 24.94 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 116.002 1.852 . . . . 21.28 116.002 175.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.12 141.13 56.34 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 116.727 2.121 . . . . 33.27 116.727 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.64 78.67 0.12 Allowed Glycine 0 N--CA 1.496 2.649 0 N-CA-C 118.198 2.039 . . . . 24.75 118.198 160.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.28 153.34 11.2 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 114.797 0.679 . . . . 22.69 114.797 -172.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -87.03 105.81 17.41 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 121.556 -0.967 . . . . 40.14 111.401 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -90.89 96.11 10.47 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.633 0.773 . . . . 20.54 111.537 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.6 120.86 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 C-N-CA 123.525 0.73 . . . . 17.4 112.253 -165.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.4 t -119.89 117.62 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 C-N-CA 123.417 0.687 . . . . 15.45 109.815 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.43 133.67 43.78 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 121.034 -1.041 . . . . 17.68 112.395 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.1 mt -136.27 111.66 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.275 -0.891 . . . . 18.84 109.967 -166.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -91.05 105.9 18.14 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 109.071 -0.715 . . . . 36.21 109.071 150.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.24 94.66 0.17 Allowed Pre-proline 0 N--CA 1.502 2.127 0 CA-C-O 116.531 -1.699 . . . . 27.97 109.159 165.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.73 163.8 15.05 Favored 'Trans proline' 0 CA--C 1.562 1.914 0 CA-C-N 125.009 2.824 . . . . 29.46 118.291 -154.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 82.6 mtp -35.96 -46.02 0.45 Allowed 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 120.111 3.375 . . . . 40.94 120.111 -170.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -79.5 19.22 0.64 Allowed 'General case' 0 CA--C 1.592 2.558 0 N-CA-C 116.738 2.125 . . . . 42.19 116.738 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -62.56 119.38 49.99 Favored Pre-proline 0 CA--C 1.578 2.029 0 O-C-N 119.445 -2.034 . . . . 25.82 112.4 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.36 -16.38 19.46 Favored 'Trans proline' 0 CA--C 1.562 1.908 1 N-CA-C 123.299 4.307 . . . . 22.39 123.299 33.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -78.08 -25.6 47.74 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 117.731 2.493 . . . . 27.32 117.731 -171.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -91.92 137.79 25.1 Favored Pre-proline 0 CA--C 1.577 2.008 0 CA-C-N 120.376 1.444 . . . . 41.69 114.787 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.04 149.49 41.65 Favored 'Trans proline' 0 CA--C 1.577 2.636 0 C-N-CA 122.328 2.019 . . . . 23.14 116.565 176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.44 135.49 42.83 Favored 'Trans proline' 0 CA--C 1.566 2.082 0 C-N-CA 123.026 2.484 . . . . 22.53 116.692 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.53 84.92 3.91 Favored 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 123.587 0.755 . . . . 0.0 110.854 168.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.1 mtt -87.23 104.1 16.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.794 -0.566 . . . . 22.04 112.091 -170.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -123.94 107.0 10.88 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-O 122.274 1.035 . . . . 38.26 111.306 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.29 122.07 17.09 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 115.78 1.77 . . . . 16.42 115.78 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.88 -56.95 8.06 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 123.893 0.877 . . . . 18.39 112.251 158.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -60.35 110.86 1.35 Allowed 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.868 1.267 . . . . 17.2 112.339 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -78.76 128.99 34.15 Favored 'General case' 0 CA--C 1.564 1.509 0 O-C-N 120.735 -1.228 . . . . 23.87 113.607 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.7 t -125.52 124.31 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.775 -0.824 . . . . 19.8 108.775 -167.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -84.21 86.26 7.26 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.921 -1.112 . . . . 20.38 111.604 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -145.66 138.95 14.33 Favored Pre-proline 0 CA--C 1.583 2.239 0 CA-C-O 118.015 -0.993 . . . . 17.38 112.197 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.78 -38.86 57.71 Favored 'Trans proline' 0 CA--C 1.571 2.336 0 N-CA-C 120.499 3.23 . . . . 19.16 120.499 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.24 -12.23 38.61 Favored 'General case' 0 CA--C 1.586 2.336 0 N-CA-C 116.191 1.923 . . . . 18.69 116.191 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.16 131.11 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 120.152 -1.592 . . . . 20.65 107.51 -171.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 t -71.0 125.28 26.42 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.83 2.159 . . . . 21.5 116.83 -165.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.9 p -67.53 -40.46 85.06 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 117.036 2.236 . . . . 27.64 117.036 164.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.9 t -93.79 -57.16 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 C-N-CA 123.958 0.903 . . . . 27.88 111.679 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.6 p -80.07 -53.01 7.1 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 115.467 1.655 . . . . 25.49 115.467 -169.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.64 -40.84 1.82 Allowed Glycine 0 N--CA 1.494 2.566 0 N-CA-C 116.666 1.426 . . . . 21.91 116.666 -155.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.75 166.55 0.93 Allowed 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 118.254 2.687 . . . . 20.02 118.254 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 60.3 mt -136.66 143.19 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 120.983 -1.073 . . . . 19.18 109.141 -174.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 105.28 15.23 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.635 -1.291 . . . . 30.5 110.724 162.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.5 tp -147.89 106.85 3.84 Favored 'General case' 0 CA--C 1.569 1.683 0 N-CA-C 106.507 -1.664 . . . . 24.74 106.507 152.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.0 -49.6 74.05 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -159.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . 0.297 2.1 pp -63.27 -21.71 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.543 0 N-CA-C 116.744 2.127 . . . . 27.93 116.744 171.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.4 tp -73.04 -45.5 57.26 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 115.458 1.651 . . . . 31.94 115.458 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -101.16 -24.89 14.19 Favored 'General case' 0 CA--C 1.58 2.132 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -120.3 -63.22 1.38 Allowed 'General case' 0 CA--C 1.574 1.882 0 C-N-CA 124.871 1.268 . . . . 42.53 112.106 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.55 78.45 2.39 Favored 'General case' 0 CA--C 1.571 1.785 0 O-C-N 120.816 -1.177 . . . . 31.73 113.988 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -76.1 141.28 42.02 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 115.826 1.787 . . . . 25.39 115.826 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.4 t -85.27 114.18 54.73 Favored Pre-proline 0 CA--C 1.578 2.028 0 CA-C-O 117.567 -1.206 . . . . 26.61 110.095 158.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -52.38 -18.15 7.53 Favored 'Trans proline' 0 CA--C 1.566 2.09 1 N-CA-C 122.575 4.029 . . . . 23.68 122.575 -172.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 m -105.41 28.9 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.203 0 N-CA-C 116.082 1.882 . . . . 21.53 116.082 174.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 44.8 mt -81.61 119.2 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 119.372 -2.08 . . . . 19.68 108.762 166.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.0 p -75.05 149.07 39.29 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.059 -1.026 . . . . 14.54 113.343 170.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.26 -32.86 68.78 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 116.347 1.98 . . . . 16.45 116.347 166.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -52.69 -39.05 61.57 Favored 'General case' 0 CA--C 1.581 2.168 0 N-CA-C 116.66 2.096 . . . . 28.93 116.66 160.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.7 t -73.81 -41.04 62.91 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 116.534 2.05 . . . . 19.87 116.534 163.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.49 91.12 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 118.083 2.623 . . . . 16.53 118.083 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.93 -35.3 78.19 Favored 'General case' 0 N--CA 1.499 2.018 0 CA-C-N 120.693 1.588 . . . . 18.75 115.109 170.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.49 -30.06 48.25 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.457 0 O-C-N 120.636 -1.29 . . . . 18.97 114.023 163.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.2 t -60.29 -43.83 95.9 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 116.737 2.125 . . . . 18.76 116.737 163.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.82 -41.24 99.23 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 115.661 1.726 . . . . 19.23 115.661 169.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.03 -54.78 25.88 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 115.273 1.582 . . . . 20.97 115.273 165.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.01 72.95 Favored 'General case' 0 CA--C 1.579 2.091 0 N-CA-C 118.087 2.625 . . . . 18.76 118.087 168.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.65 -46.1 91.6 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 119.826 -1.796 . . . . 19.55 115.226 165.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.9 mt -64.1 -40.25 95.81 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 117.022 2.23 . . . . 18.57 117.022 167.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -50.72 -29.29 10.95 Favored 'General case' 0 N--CA 1.502 2.145 0 N-CA-C 119.699 3.222 . . . . 34.01 119.699 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.2 m -145.3 91.17 5.9 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 120.516 -1.365 . . . . 22.18 109.203 173.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -64.87 144.5 83.36 Favored 'Trans proline' 0 CA--C 1.563 1.969 0 N-CA-C 118.456 2.445 . . . . 22.89 118.456 -170.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -144.38 131.21 10.2 Favored Pre-proline 0 CA--C 1.58 2.125 0 C-N-CA 123.88 0.872 . . . . 30.68 111.28 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -84.94 73.37 4.35 Favored 'Trans proline' 0 CA--C 1.571 2.374 0 C-N-CA 122.701 2.267 . . . . 22.47 113.377 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -126.73 -59.09 1.29 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.551 0.945 . . . . 25.74 113.551 -165.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -92.17 103.65 8.88 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-N 119.885 1.22 . . . . 37.09 108.39 163.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -87.49 130.51 2.81 Favored 'Trans proline' 0 CA--C 1.567 2.16 0 CA-C-N 122.987 2.103 . . . . 27.93 115.887 -167.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -105.77 -89.52 0.43 Allowed 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 123.308 0.643 . . . . 30.18 111.13 169.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -81.83 103.55 11.58 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 119.634 1.106 . . . . 38.16 109.618 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.67 85.2 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 118.725 2.861 . . . . 28.98 118.725 -168.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.7 -28.06 69.34 Favored 'General case' 0 CA--C 1.575 1.927 0 N-CA-C 116.842 2.164 . . . . 41.01 116.842 168.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.09 -41.07 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.104 -1.622 . . . . 22.76 113.606 166.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.33 85.83 Favored 'General case' 0 CA--C 1.575 1.926 0 N-CA-C 116.664 2.098 . . . . 22.48 116.664 164.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.56 -49.58 64.64 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.531 1.678 . . . . 24.35 115.531 163.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -52.51 -55.84 19.31 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 114.604 1.335 . . . . 21.44 114.604 169.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.73 -35.45 76.37 Favored 'General case' 0 CA--C 1.578 2.055 0 N-CA-C 117.358 2.355 . . . . 23.1 117.358 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.07 -46.32 85.64 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 115.847 1.795 . . . . 26.87 115.847 162.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.3 ttp85 -67.58 -35.75 79.6 Favored 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 117.749 2.5 . . . . 38.2 117.749 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -118.85 147.93 43.43 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 119.373 0.988 . . . . 29.82 113.592 -154.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.0 tpp85 -141.9 42.86 1.7 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 114.838 1.421 . . . . 25.13 114.838 149.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . 0.278 0.9 OUTLIER -140.85 -60.57 0.5 Allowed 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.525 1.13 . . . . 0.0 111.62 179.461 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.8 t -66.36 -24.98 66.59 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 117.96 2.578 . . . . 25.0 117.96 167.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.6 -44.79 95.42 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-N 121.103 1.774 . . . . 21.12 114.124 161.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -63.76 -32.38 73.86 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 115.84 1.793 . . . . 21.65 115.84 166.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -62.63 -54.3 41.63 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 120.88 1.673 . . . . 35.24 114.438 162.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 32.5 m -74.86 -53.39 9.16 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 120.044 1.293 . . . . 22.65 114.378 -173.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.61 90.91 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 117.527 2.417 . . . . 17.07 117.527 176.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.58 -42.53 91.65 Favored 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 116.572 2.064 . . . . 19.78 116.572 169.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 48.2 tp -58.25 -50.33 73.94 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.361 1.615 . . . . 21.74 115.361 165.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -58.38 -41.49 84.95 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.814 1.783 . . . . 19.9 115.814 173.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 87.5 m -59.1 -47.97 83.32 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.125 1.528 . . . . 22.33 115.125 166.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 27.9 mmt-85 -64.87 -27.42 68.85 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 116.59 2.07 . . . . 47.8 116.59 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.82 -65.02 1.05 Allowed 'General case' 0 CA--C 1.576 1.951 0 CA-C-N 120.048 1.295 . . . . 20.86 113.611 172.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -70.97 -39.25 72.64 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 116.621 2.082 . . . . 25.8 116.621 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -92.29 71.54 5.28 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-N 119.772 1.169 . . . . 25.03 112.134 170.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 125.443 2.544 . . . . 0.0 113.868 -178.141 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptt? . . . . . 0 CA--C 1.566 1.582 0 N-CA-C 114.791 1.404 . . . . 17.17 114.791 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -113.16 87.21 2.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.418 -0.801 . . . . 21.89 109.926 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -81.26 140.39 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.316 -0.865 . . . . 10.83 111.78 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -100.02 122.46 42.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.593 -1.317 . . . . 10.61 111.42 -166.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 73.0 t -93.17 111.65 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.024 -1.047 . . . . 9.13 109.079 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -78.64 102.47 8.01 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 123.786 0.835 . . . . 20.55 110.689 174.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -78.8 167.49 21.1 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.009 1.114 . . . . 11.78 114.009 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 18.8 mt -96.01 57.85 1.82 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.708 -1.245 . . . . 19.31 112.462 156.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.2 p -137.46 -33.65 0.73 Allowed 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 114.685 1.365 . . . . 23.14 114.685 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.39 -53.58 0.68 Allowed Glycine 0 N--CA 1.497 2.706 0 CA-C-N 119.238 0.926 . . . . 19.74 114.146 -156.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.13 112.97 2.59 Favored 'General case' 0 CA--C 1.576 1.959 0 C-N-CA 124.609 1.164 . . . . 21.93 113.178 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 66.8 m -106.68 142.18 36.73 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.95 0.881 . . . . 12.33 111.317 -172.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . 0.274 0.1 OUTLIER -114.59 132.12 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.067 -1.021 . . . . 17.08 110.795 -159.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 57.0 p -78.15 134.9 37.59 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.148 -0.97 . . . . 16.3 111.934 162.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 tp -121.76 115.54 22.87 Favored 'General case' 0 CA--C 1.565 1.555 0 O-C-N 121.332 -0.855 . . . . 15.88 110.889 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -95.63 105.56 17.56 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.442 0.697 . . . . 28.9 110.087 -164.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.0 m -145.69 167.53 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 122.211 1.005 . . . . 12.05 112.617 -160.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -131.01 168.79 15.72 Favored Pre-proline 0 CA--C 1.589 2.469 0 O-C-N 120.711 -1.243 . . . . 18.17 109.415 147.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -49.53 -18.35 2.4 Favored 'Trans proline' 0 CA--C 1.573 2.445 0 N-CA-C 122.272 3.912 . . . . 8.16 122.272 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 95.6 p -69.79 -19.97 63.48 Favored 'General case' 0 CA--C 1.575 1.92 0 N-CA-C 119.692 3.219 . . . . 11.13 119.692 164.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.74 134.08 56.73 Favored 'General case' 0 CA--C 1.582 2.198 0 CA-C-N 120.582 1.537 . . . . 18.03 113.401 -176.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -77.67 154.62 31.98 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.396 -1.44 . . . . 10.22 113.84 -174.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . 0.271 30.2 mm -67.45 -36.31 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.575 0 O-C-N 120.048 -1.657 . . . . 12.3 114.159 171.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -32.06 -63.7 0.18 Allowed 'General case' 0 CA--C 1.585 2.301 0 N-CA-C 117.546 2.424 . . . . 36.51 117.546 144.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -63.42 -35.07 79.22 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 116.51 2.041 . . . . 25.66 116.51 173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.2 t -53.47 -54.93 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 120.593 -1.317 . . . . 8.12 113.262 162.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.81 -39.62 89.67 Favored 'General case' 0 CA--C 1.571 1.75 0 N-CA-C 116.741 2.126 . . . . 15.47 116.741 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.83 80.11 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.497 2.036 . . . . 11.45 116.497 165.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.82 -20.69 65.98 Favored 'General case' 0 CA--C 1.58 2.11 0 N-CA-C 117.707 2.484 . . . . 24.98 117.707 171.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mt -81.64 -46.47 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 CA-C-N 120.023 1.283 . . . . 9.46 112.093 166.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -56.75 -31.86 65.0 Favored 'General case' 0 CA--C 1.583 2.235 0 N-CA-C 117.573 2.434 . . . . 14.76 117.573 168.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . 0.273 6.9 t70 -51.79 -85.48 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.193 0 C-N-CA 125.964 1.706 . . . . 26.29 114.853 165.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -79.78 -20.67 45.66 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 119.131 3.011 . . . . 30.06 119.131 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -97.0 -35.09 10.96 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.573 1.694 . . . . 25.19 115.573 169.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 17.05 73.27 Favored Glycine 0 N--CA 1.497 2.726 0 N-CA-C 119.135 2.414 . . . . 7.41 119.135 -170.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.6 mt -83.48 122.44 76.95 Favored Pre-proline 0 CA--C 1.582 2.196 0 CA-C-N 119.264 1.532 . . . . 9.49 109.756 -170.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.68 135.97 63.61 Favored 'Trans proline' 0 CA--C 1.573 2.471 0 C-N-CA 123.215 2.61 . . . . 11.42 118.077 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -48.46 -34.76 26.69 Favored 'Trans proline' 0 CA--C 1.569 2.228 0 N-CA-C 120.692 3.305 . . . . 12.0 120.692 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.3 -38.2 81.38 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 116.141 1.904 . . . . 35.55 116.141 165.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -59.84 -32.81 71.02 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 116.114 1.894 . . . . 20.52 116.114 164.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -72.57 81.8 1.1 Allowed 'General case' 0 CA--C 1.577 2.014 0 N-CA-C 115.414 1.635 . . . . 7.13 115.414 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -87.59 90.81 8.51 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 120.738 -1.226 . . . . 36.39 109.369 168.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.0 mt -88.04 129.8 35.17 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.265 -0.897 . . . . 9.55 112.63 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.3 mm -123.88 133.29 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 C-N-CA 123.579 0.752 . . . . 13.9 109.958 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -143.75 96.24 2.87 Favored 'General case' 0 CA--C 1.574 1.885 0 O-C-N 120.91 -1.119 . . . . 6.86 112.544 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.41 86.72 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 117.464 2.394 . . . . 11.15 117.464 165.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.54 0.27 53.19 Favored Glycine 0 N--CA 1.499 2.9 0 N-CA-C 119.64 2.616 . . . . 13.93 119.64 -168.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -150.05 144.67 25.92 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 119.847 1.824 . . . . 23.92 111.644 -161.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -86.01 150.79 24.22 Favored 'General case' 0 CA--C 1.573 1.833 0 O-C-N 121.244 -0.91 . . . . 23.23 111.882 157.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -83.1 97.11 8.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.293 -0.879 . . . . 9.11 110.59 170.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.83 135.08 53.37 Favored 'General case' 0 CA--C 1.577 2.003 0 C-N-CA 124.281 1.032 . . . . 33.44 112.392 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.21 -46.85 85.09 Favored 'General case' 0 CA--C 1.577 2.003 0 N-CA-C 118.6 2.815 . . . . 28.37 118.6 -161.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.85 64.5 4.08 Favored Glycine 0 N--CA 1.501 3.033 0 O-C-N 119.786 -1.821 . . . . 15.0 116.858 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -144.92 171.59 14.23 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 113.195 0.813 . . . . 25.5 113.195 -164.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.0 p -91.78 162.79 14.31 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.556 -1.34 . . . . 11.95 112.806 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.59 -38.88 78.91 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.141 1.904 . . . . 10.17 116.141 155.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.5 p -56.14 -34.68 66.35 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 119.127 3.01 . . . . 13.59 119.127 174.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -42.71 -36.61 1.48 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 118.219 2.674 . . . . 11.7 118.219 164.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -103.35 -2.23 27.4 Favored 'General case' 0 CA--C 1.573 1.864 0 N-CA-C 116.741 2.126 . . . . 12.95 116.741 -166.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . 0.289 9.1 t-20 55.86 50.37 14.17 Favored 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 115.624 1.712 . . . . 25.45 115.624 -162.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.5 mt -87.2 96.33 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.688 -1.257 . . . . 14.6 108.042 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -83.29 165.31 19.45 Favored 'General case' 0 CA--C 1.57 1.739 0 C-N-CA 123.395 0.678 . . . . 33.23 112.557 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 135.65 56.42 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 116.267 1.951 . . . . 25.97 116.267 -175.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . 0.347 1.6 mp0 59.77 28.75 18.27 Favored 'General case' 0 CA--C 1.586 2.339 0 N-CA-C 117.678 2.473 . . . . 32.61 117.678 -173.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.7 m -84.27 154.61 22.88 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.237 -1.54 . . . . 10.56 114.201 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 78.3 m -89.78 114.08 25.73 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.941 -1.099 . . . . 5.33 112.472 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.0 mt -87.33 125.95 34.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.628 -0.67 . . . . 11.66 110.792 168.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -93.5 97.15 10.34 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.786 -1.196 . . . . 16.3 111.472 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -82.38 111.02 18.04 Favored 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 123.695 0.798 . . . . 9.96 112.16 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.5 t -96.5 124.77 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.728 0 N-CA-C 108.45 -0.944 . . . . 9.76 108.45 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.2 mp -82.3 96.36 7.88 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 120.91 -1.119 . . . . 19.57 110.488 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -103.14 116.19 32.02 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.047 0.939 . . . . 35.08 111.413 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.0 -136.12 0.12 Allowed 'General case' 0 CA--C 1.578 2.045 0 O-C-N 121.407 -0.808 . . . . 32.31 110.359 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.7 60.01 0.8 Allowed 'General case' 0 CA--C 1.57 1.74 0 O-C-N 119.669 -1.894 . . . . 42.75 112.244 168.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.48 -64.79 0.06 OUTLIER Glycine 0 N--CA 1.496 2.679 0 N-CA-C 117.687 1.835 . . . . 36.31 117.687 -171.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 CA-C-O 119.005 -0.886 . . . . 36.2 113.365 179.384 . . . . . . . . 0 0 . 1 stop_ save_