data_6xti_residue ############################ # Computer software used # ############################ 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 6xti _Structure_validation_residue.Date_analyzed 2020-11-27 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.214 0 CA-C-O 119.215 -0.77 . . . . 25.0 114.791 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.38 -21.49 2.49 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 118.937 2.335 . . . . 25.0 118.937 -173.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -113.97 -138.14 6.81 Favored Glycine 0 N--CA 1.453 -0.178 0 CA-C-N 118.528 1.164 . . . . 25.0 113.89 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.43 -104.78 0.03 OUTLIER Glycine 0 C--N 1.33 0.218 0 CA-C-O 120.016 -0.325 . . . . 50.0 112.673 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.14 138.67 29.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.909 0.854 . . . . 25.0 109.498 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.63 -138.27 5.86 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.238 -0.745 . . . . 25.0 111.238 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.5 164.21 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.014 0.407 . . . . 75.0 111.312 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 85.39 88.01 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 123.947 1.832 . . . . 50.0 111.909 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -146.5 0.43 Allowed 'General case' 0 C--N 1.346 0.44 0 N-CA-C 107.328 -1.36 . . . . 75.0 107.328 -176.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -120.82 21.47 11.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 118.504 0.593 . . . . 50.0 111.434 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -106.78 -68.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.391 0.886 . . . . 50.0 113.391 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.71 157.38 45.13 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.63 0.372 . . . . 50.0 110.413 -175.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 162.02 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 115.138 1.533 . . . . 50.0 115.138 -169.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.8 tp -84.14 53.48 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.49 -0.777 . . . . 50.0 110.889 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.9 mt 69.23 -59.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 125.34 1.456 . . . . 50.0 112.843 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -87.54 64.39 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.582 1.182 . . . . 50.0 109.448 -174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.216 -0.694 0 CA-C-N 115.633 -0.712 . . . . 50.0 112.406 -174.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.128 0 N-CA-C 111.534 -0.626 . . . . 25.0 111.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.01 -12.59 84.24 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 116.664 1.426 . . . . 25.0 116.664 -176.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.36 -29.72 1.61 Allowed Glycine 0 C--N 1.331 0.255 0 CA-C-N 117.899 0.849 . . . . 25.0 114.862 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.66 -165.45 21.83 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 110.481 -1.048 . . . . 50.0 110.481 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ptt-85 -118.03 156.72 28.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.607 0.704 . . . . 25.0 112.33 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.1 76.46 0.14 Allowed Glycine 0 CA--C 1.517 0.165 0 CA-C-O 119.737 -0.479 . . . . 25.0 114.243 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.439 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 0.9 OUTLIER 74.87 -111.45 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.488 1.115 . . . . 75.0 113.414 179.34 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 55.16 -153.8 0.31 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 122.479 1.133 . . . . 50.0 111.258 -174.022 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -66.31 -40.98 90.33 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.683 -1.261 . . . . 75.0 113.561 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.62 -61.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.454 0.539 . . . . 50.0 112.454 -176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.67 8.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.477 0.917 . . . . 50.0 113.477 171.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -76.38 178.87 6.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.902 -0.59 . . . . 50.0 110.593 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -76.26 121.86 23.55 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.145 0.795 . . . . 50.0 113.145 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HB2' ' H ' ' A' ' 8' ' ' GLU . 41.1 tp -78.84 -40.37 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.386 0.513 . . . . 50.0 112.386 172.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.5 mt -121.63 -52.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.215 0.45 . . . . 50.0 112.215 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -91.57 66.91 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.508 1.147 . . . . 50.0 112.314 -170.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.215 -0.736 0 CA-C-N 115.44 -0.8 . . . . 50.0 112.048 177.208 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.205 0 N-CA-C 112.328 -0.309 . . . . 25.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.51 8.31 22.33 Favored Glycine 0 C--N 1.329 0.18 0 N-CA-C 115.19 0.836 . . . . 25.0 115.19 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -114.31 98.7 0.9 Allowed Glycine 0 N--CA 1.453 -0.177 0 CA-C-N 117.353 0.576 . . . . 25.0 114.403 -174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.2 -163.98 21.24 Favored Glycine 0 C--N 1.328 0.137 0 CA-C-O 119.967 -0.352 . . . . 50.0 113.149 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -136.85 135.42 37.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.95 -38.97 0.2 Allowed Glycine 0 CA--C 1.518 0.262 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -165.08 -130.56 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.488 1.144 . . . . 75.0 111.744 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 61.37 -80.24 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 125.741 1.616 . . . . 50.0 113.723 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -102.19 -49.0 4.03 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.35 -0.841 . . . . 75.0 110.739 -167.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.05 -48.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.361 1.064 . . . . 50.0 108.278 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -122.8 -20.91 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.159 1.17 . . . . 50.0 114.159 -174.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -76.2 -176.64 3.64 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.321 0.648 . . . . 50.0 110.24 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.63 157.88 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.181 0.808 . . . . 50.0 113.181 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.7 tp -98.79 -73.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 114.444 1.275 . . . . 50.0 114.444 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.6 mm -137.72 129.57 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 -176.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 53.57 55.16 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 122.113 0.959 . . . . 50.0 110.804 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.217 -0.651 0 O-C-N 121.795 -0.565 . . . . 50.0 112.405 -177.222 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.124 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.43 40.67 1.63 Allowed Glycine 0 C--N 1.33 0.219 0 N-CA-C 118.4 2.12 . . . . 25.0 118.4 -171.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.64 -63.79 0.37 Allowed Glycine 0 C--N 1.33 0.219 0 CA-C-N 118.83 1.315 . . . . 25.0 116.22 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.88 -166.68 41.99 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.236 -0.746 . . . . 50.0 111.236 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -124.55 138.9 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.188 0.494 . . . . 25.0 110.564 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.62 89.76 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.173 0 N-CA-C 111.771 -0.532 . . . . 25.0 111.771 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.402 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER 72.91 -123.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.275 1.03 . . . . 75.0 111.963 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 61.42 -164.91 0.23 Allowed 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 122.524 1.154 . . . . 50.0 111.26 -176.347 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -61.25 -44.77 96.7 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.836 -1.165 . . . . 75.0 110.115 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.91 130.96 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.71 -0.677 . . . . 50.0 109.639 170.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 62.52 6.67 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 117.347 2.351 . . . . 50.0 117.347 167.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -123.02 174.54 7.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.103 0.41 . . . . 50.0 111.468 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.7 p -81.02 129.41 34.53 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.661 1.356 . . . . 50.0 114.661 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -96.47 -50.22 4.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.862 1.06 . . . . 50.0 113.862 174.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.1 mt -111.66 -49.82 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.192 0.52 . . . . 50.0 110.297 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -97.36 101.66 13.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 50.0 109.051 -170.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.215 -0.735 0 N-CA-C 113.15 0.796 . . . . 50.0 113.15 -173.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.229 0 N-CA-C 114.572 0.589 . . . . 25.0 114.572 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.44 -70.74 0.45 Allowed Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 115.877 1.111 . . . . 25.0 115.877 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.53 -72.96 0.93 Allowed Glycine 0 C--N 1.33 0.201 0 N-CA-C 116.619 1.408 . . . . 25.0 116.619 -169.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.06 -163.47 34.24 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.598 -0.811 . . . . 50.0 112.393 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -124.85 151.6 45.07 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.661 -0.317 . . . . 25.0 111.582 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.95 84.01 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.099 -177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.438 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER 72.53 -117.05 0.06 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.134 0.974 . . . . 75.0 112.423 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.6 OUTLIER 60.38 -149.47 0.43 Allowed 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 122.344 1.069 . . . . 50.0 110.952 -172.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -82.27 -37.18 26.25 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 120.667 -1.271 . . . . 75.0 112.381 -173.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.73 -81.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.943 -0.571 . . . . 50.0 110.704 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -149.25 57.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.307 0.643 . . . . 50.0 109.509 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -134.51 179.75 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.974 -0.557 . . . . 50.0 110.156 -172.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.42 121.96 19.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 114.84 1.422 . . . . 50.0 114.84 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.9 tp -90.7 -48.39 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.069 0.766 . . . . 50.0 113.069 167.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -137.69 -58.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.632 0.604 . . . . 50.0 112.632 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -100.75 80.55 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.427 1.108 . . . . 50.0 110.098 -173.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 118.206 -0.902 . . . . 50.0 113.192 -169.228 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.188 0 N-CA-C 110.826 -0.91 . . . . 25.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.78 85.66 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 116.161 1.225 . . . . 25.0 116.161 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.64 -75.97 0.4 Allowed Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 121.833 -0.222 . . . . 25.0 113.517 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 -176.28 33.83 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.911 -0.876 . . . . 50.0 110.911 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -113.81 161.3 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.466 -0.432 . . . . 25.0 111.364 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.57 -105.69 0.26 Allowed Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 115.381 0.913 . . . . 25.0 115.381 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -127.84 -39.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.615 0.968 . . . . 75.0 113.615 -169.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -43.35 103.42 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.136 1.374 . . . . 50.0 113.209 -173.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.9 t80 64.09 -67.64 0.1 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.142 1.377 . . . . 75.0 113.777 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.94 84.0 1.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.511 -0.552 . . . . 50.0 109.511 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 61.85 22.08 12.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.937 1.458 . . . . 50.0 114.937 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -99.18 164.37 12.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.726 . . . . 50.0 111.69 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.18 127.4 31.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.652 0.612 . . . . 50.0 112.652 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.8 tp -114.32 59.44 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.082 -1.081 . . . . 50.0 108.082 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mt 75.26 -51.48 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 C-N-CA 125.51 1.524 . . . . 50.0 110.542 -173.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.78 65.25 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.53 1.157 . . . . 50.0 109.45 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.216 -0.667 0 CA-C-N 115.755 -0.657 . . . . 50.0 112.417 -170.292 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.079 0 CA-C-O 120.308 -0.162 . . . . 25.0 113.062 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.14 -24.59 26.56 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 116.959 1.544 . . . . 25.0 116.959 -174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.47 98.48 0.13 Allowed Glycine 0 C--O 1.229 -0.184 0 CA-C-N 118.096 0.948 . . . . 25.0 114.192 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.86 -159.65 23.79 Favored Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 109.975 -1.25 . . . . 50.0 109.975 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -138.73 147.95 43.31 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.48 90.68 0.42 Allowed Glycine 0 CA--C 1.517 0.18 0 CA-C-O 119.477 -0.624 . . . . 25.0 113.736 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 72.22 -135.38 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.223 1.009 . . . . 75.0 111.2 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 50.52 90.61 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.422 1.582 . . . . 50.0 113.888 172.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 39.7 t80 71.49 -51.92 0.69 Allowed 'General case' 0 C--N 1.348 0.509 0 CA-C-N 114.348 -1.296 . . . . 75.0 113.167 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.22 -64.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.467 0.543 . . . . 50.0 112.467 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -135.64 -2.73 2.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.414 0.894 . . . . 50.0 113.414 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.41 170.39 16.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.251 0.62 . . . . 50.0 111.953 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -74.32 120.39 19.82 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.663 1.357 . . . . 50.0 114.663 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -88.85 -46.7 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.389 0.885 . . . . 50.0 113.389 171.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.8 mt -135.6 -53.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 113.896 1.073 . . . . 50.0 113.896 -176.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.8 54.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.352 1.073 . . . . 50.0 112.445 -162.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.215 -0.72 0 O-C-N 121.524 -0.735 . . . . 50.0 112.586 -170.093 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.241 0 N-CA-C 114.869 0.707 . . . . 25.0 114.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.23 -151.81 6.39 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 117.538 0.669 . . . . 25.0 112.432 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.43 -61.63 0.52 Allowed Glycine 0 C--N 1.33 0.199 0 N-CA-C 117.203 1.641 . . . . 25.0 117.203 -172.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.0 -156.96 9.12 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 110.937 -0.865 . . . . 50.0 110.937 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -117.91 128.47 54.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 118.523 1.162 . . . . 25.0 111.824 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.03 -120.3 0.53 Allowed Glycine 0 N--CA 1.453 -0.217 0 N-CA-C 110.267 -1.133 . . . . 25.0 110.267 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -162.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.619 -0.882 . . . . 75.0 108.619 170.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER 84.4 143.87 0.06 Allowed 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 124.647 1.179 . . . . 50.0 110.848 -177.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' GLU . 35.4 t80 7.84 -83.37 0.0 OUTLIER 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.569 1.692 . . . . 75.0 115.569 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -162.24 154.78 19.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 164.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 69.88 -27.54 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 116.427 2.01 . . . . 50.0 116.427 173.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.68 -160.88 0.83 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.778 0.431 . . . . 50.0 110.154 178.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -129.93 148.02 51.74 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.875 0.87 . . . . 50.0 112.668 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.7 tp -102.11 -52.63 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.263 0.468 . . . . 50.0 112.263 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.7 mt -139.0 -57.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.613 0.244 . . . . 50.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -97.42 105.31 17.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 50.0 109.814 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.216 -0.679 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 -170.234 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.151 0 N-CA-C 112.233 -0.347 . . . . 25.0 112.233 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.53 -3.96 49.78 Favored Glycine 0 N--CA 1.453 -0.201 0 N-CA-C 115.416 0.927 . . . . 25.0 115.416 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.47 -146.97 10.15 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 117.216 0.508 . . . . 25.0 112.239 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.26 -98.97 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 115.013 0.765 . . . . 50.0 115.013 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.15 152.9 52.04 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.068 -0.666 . . . . 25.0 112.244 -177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.39 71.83 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 N-CA-C 114.938 0.735 . . . . 25.0 114.938 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.9 t80 79.7 -28.52 0.14 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 119.359 3.096 . . . . 75.0 119.359 164.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.65 97.11 0.05 Allowed 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 122.927 1.346 . . . . 50.0 113.433 -173.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 70.31 -45.48 0.59 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.463 1.653 . . . . 75.0 115.463 165.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -128.15 -77.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.412 -0.959 . . . . 50.0 108.412 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -135.02 -6.1 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.077 0.769 . . . . 50.0 113.077 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.78 169.89 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.602 0.593 . . . . 50.0 112.602 -160.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.5 t -70.38 125.48 26.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.091 0.775 . . . . 50.0 113.091 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -96.35 -40.24 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 114.721 1.378 . . . . 50.0 114.721 178.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 mt -132.81 142.7 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 111.737 0.273 . . . . 50.0 111.737 -170.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 62.18 24.9 14.87 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.587 1.155 . . . . 50.0 113.266 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.216 -0.7 0 O-C-N 121.506 -0.746 . . . . 50.0 112.354 -176.765 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.245 0 N-CA-C 115.466 0.946 . . . . 25.0 115.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.58 22.99 13.94 Favored Glycine 0 N--CA 1.452 -0.265 0 N-CA-C 115.626 1.01 . . . . 25.0 115.626 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.11 -49.24 3.94 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 115.11 0.804 . . . . 25.0 115.11 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.5 -150.83 2.21 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.829 -0.508 . . . . 50.0 111.829 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.39 153.12 46.62 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.087 -0.655 . . . . 25.0 111.572 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.6 82.07 0.12 Allowed Glycine 0 N--CA 1.453 -0.203 0 CA-C-N 115.656 -0.702 . . . . 25.0 113.512 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER 72.97 -126.17 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.201 1.0 . . . . 75.0 112.038 179.115 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.6 OUTLIER 62.31 -156.02 0.34 Allowed 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.651 1.215 . . . . 50.0 112.75 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -65.71 -40.34 92.13 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 113.938 1.088 . . . . 75.0 113.938 -170.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -122.44 -71.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.461 -0.57 . . . . 50.0 109.461 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 15.46 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 50.0 111.099 170.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.22 176.75 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.891 -0.595 . . . . 50.0 111.104 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.3 t -69.55 120.85 15.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.482 0.549 . . . . 50.0 112.482 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 tp -101.21 -48.39 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 50.0 111.983 164.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mm -126.28 -49.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.127 0.417 . . . . 50.0 112.127 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.496 ' O ' ' HC ' ' A' ' 17' ' ' CYS . 53.8 m-85 -97.8 39.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.339 1.066 . . . . 50.0 112.735 -158.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.496 ' HC ' ' O ' ' A' ' 16' ' ' PHE . 1.4 m . . . . . 0 C--O 1.215 -0.715 0 CA-C-N 115.476 -0.784 . . . . 50.0 111.832 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.163 0 N-CA-C 116.291 1.276 . . . . 25.0 116.291 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.7 30.1 4.31 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 115.91 1.124 . . . . 25.0 115.91 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.96 -49.24 4.2 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 116.231 1.252 . . . . 25.0 116.231 175.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.0 -155.98 16.76 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 111.298 -0.721 . . . . 50.0 111.298 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -108.78 161.82 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 118.136 0.968 . . . . 25.0 112.724 -176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.56 -153.38 24.8 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.409 -0.424 . . . . 25.0 113.167 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -70.87 -38.95 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 115.253 1.575 . . . . 75.0 115.253 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.58 121.98 12.29 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 122.764 1.269 . . . . 50.0 113.005 -159.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.1 t80 61.3 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.827 1.418 . . . . 75.0 114.827 174.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -145.77 82.69 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt 60.2 29.61 19.16 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 114.721 1.378 . . . . 50.0 114.721 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -108.1 166.1 10.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.942 0.877 . . . . 50.0 112.633 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.0 t -61.12 126.9 29.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.668 0.618 . . . . 50.0 112.668 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 tp -105.86 -53.19 2.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.734 -0.666 . . . . 50.0 110.626 169.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.2 mt -136.62 -53.28 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.874 -0.417 . . . . 50.0 109.874 176.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -101.84 85.68 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.295 1.045 . . . . 50.0 108.867 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.219 -0.508 0 N-CA-C 113.574 0.953 . . . . 50.0 113.574 -167.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.118 0 N-CA-C 116.007 1.163 . . . . 25.0 116.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.84 34.23 0.04 OUTLIER Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.533 -0.334 . . . . 25.0 112.44 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.04 -164.16 28.9 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 110.019 -1.232 . . . . 25.0 110.019 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.39 -90.35 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 117.218 1.647 . . . . 50.0 117.218 -175.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -142.01 134.7 28.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.947 0.874 . . . . 25.0 112.367 -175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.32 -68.29 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.037 -0.602 . . . . 25.0 114.218 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -157.2 -107.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.168 -1.049 . . . . 75.0 108.168 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' HB3' ' H ' ' A' ' 9' ' ' TYR . 1.0 OUTLIER 57.24 -97.15 0.07 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 124.672 1.189 . . . . 50.0 112.611 174.251 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.403 ' H ' ' HB3' ' A' ' 8' ' ' GLU . 6.4 t80 -82.42 -39.09 23.11 Favored 'General case' 0 C--N 1.343 0.32 0 O-C-N 121.218 -0.926 . . . . 75.0 110.571 -178.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 172.24 -44.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.413 1.485 . . . . 50.0 109.127 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.41 21.58 4.36 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 114.762 1.394 . . . . 50.0 114.762 -174.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -124.55 152.98 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 122.366 0.266 . . . . 50.0 111.431 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 m -61.82 143.49 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.226 -0.589 . . . . 50.0 110.83 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.1 tp -88.81 58.08 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.045 -1.094 . . . . 50.0 108.045 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.506 HG22 ' H ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER 58.75 179.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 -171.248 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' H ' HG22 ' A' ' 15' ' ' ILE . 7.9 m-85 57.39 30.76 19.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.415 1.103 . . . . 50.0 111.376 174.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.217 -0.638 0 CA-C-N 115.776 -0.647 . . . . 50.0 112.209 -171.65 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.153 0 N-CA-C 115.527 0.971 . . . . 25.0 115.527 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.88 65.84 0.3 Allowed Glycine 0 N--CA 1.453 -0.18 0 N-CA-C 110.148 -1.181 . . . . 25.0 110.148 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.99 -145.32 6.38 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 109.396 -1.482 . . . . 25.0 109.396 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.47 -110.02 0.03 OUTLIER Glycine 0 CA--C 1.518 0.229 0 CA-C-N 117.445 0.623 . . . . 50.0 112.974 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -143.2 142.04 31.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 117.966 0.883 . . . . 25.0 111.96 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.43 -144.56 10.32 Favored Glycine 0 N--CA 1.453 -0.19 0 N-CA-C 110.738 -0.945 . . . . 25.0 110.738 -172.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -60.08 156.49 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.06 0.43 . . . . 75.0 111.079 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 107.88 90.5 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 127.43 2.292 . . . . 50.0 111.141 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.4 t80 60.19 -112.38 0.55 Allowed 'General case' 0 C--N 1.345 0.382 0 CA-C-N 114.156 -1.384 . . . . 75.0 108.106 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -145.97 19.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.539 0.608 . . . . 50.0 110.947 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -118.86 -60.21 1.78 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 115.339 1.607 . . . . 50.0 115.339 -162.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -136.12 165.83 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.545 0.338 . . . . 50.0 110.455 -176.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 150.93 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.993 0.368 . . . . 50.0 111.993 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -80.41 49.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.525 0.679 . . . . 50.0 111.532 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt 65.97 155.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 124.428 1.091 . . . . 50.0 108.736 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 55.63 44.33 26.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 122.27 1.034 . . . . 50.0 111.115 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.216 -0.692 0 O-C-N 121.518 -0.739 . . . . 50.0 111.936 -175.435 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.212 0 N-CA-C 114.102 0.401 . . . . 25.0 114.102 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.6 -144.37 4.08 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 117.25 0.525 . . . . 25.0 112.145 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.05 88.59 0.17 Allowed Glycine 0 CA--C 1.518 0.222 0 N-CA-C 112.045 -0.422 . . . . 25.0 112.045 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.0 -137.72 6.09 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 108.405 -1.878 . . . . 50.0 108.405 -173.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.16 148.86 30.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.333 1.067 . . . . 25.0 111.909 171.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.93 103.93 0.87 Allowed Glycine 0 CA--C 1.518 0.243 0 N-CA-C 114.742 0.657 . . . . 25.0 114.742 174.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 66.88 -148.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.273 -1.01 . . . . 75.0 108.273 -175.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 73.02 -5.47 1.92 Allowed 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 122.649 1.214 . . . . 50.0 114.226 170.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.65 -159.79 0.31 Allowed 'General case' 0 C--N 1.345 0.397 0 N-CA-C 106.756 -1.572 . . . . 75.0 106.756 -173.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.7 t30 44.85 -110.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.05 0.54 . . . . 50.0 110.379 -177.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.58 40.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 173.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -123.97 -170.37 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 50.0 111.271 173.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 p -97.3 158.12 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.079 0.552 . . . . 50.0 112.063 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.44 -50.13 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 50.0 111.786 176.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.13 -53.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.658 0.266 . . . . 50.0 111.548 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -93.96 66.2 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.659 1.218 . . . . 50.0 110.81 -173.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 C--O 1.216 -0.673 0 CA-C-N 115.253 -0.885 . . . . 50.0 112.81 -178.118 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.109 0 N-CA-C 115.079 0.792 . . . . 25.0 115.079 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.23 -36.41 0.25 Allowed Glycine 0 CA--C 1.517 0.196 0 C-N-CA 121.691 -0.29 . . . . 25.0 112.404 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.8 -136.46 3.26 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.683 -0.567 . . . . 25.0 111.683 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -109.5 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 115.678 1.031 . . . . 50.0 115.678 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -133.77 161.16 35.46 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -175.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.45 -43.95 0.67 Allowed Glycine 0 CA--C 1.518 0.262 0 N-CA-C 116.71 1.444 . . . . 25.0 116.71 172.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -164.25 -115.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.944 -0.762 . . . . 75.0 108.944 -177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.1 -90.74 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 125.4 1.48 . . . . 50.0 112.772 176.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.15 -39.66 12.01 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 121.344 -0.848 . . . . 75.0 109.992 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.15 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.783 1.233 . . . . 50.0 109.764 177.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -125.91 20.77 7.65 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.738 0.644 . . . . 50.0 112.738 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -121.94 158.43 29.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.147 0.499 . . . . 50.0 111.431 -173.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.1 t -73.17 133.8 44.18 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.486 -0.759 . . . . 50.0 112.363 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tt -94.62 -53.41 3.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 50.0 111.74 174.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.62 -51.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -94.91 47.69 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.571 1.177 . . . . 50.0 111.722 -156.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.216 -0.664 0 CA-C-N 115.739 -0.664 . . . . 50.0 112.569 -168.428 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.177 0 N-CA-C 111.208 -0.757 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.2 -44.67 0.19 Allowed Glycine 0 C--O 1.229 -0.176 0 N-CA-C 117.229 1.652 . . . . 25.0 117.229 -176.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.77 93.07 0.46 Allowed Glycine 0 C--O 1.228 -0.244 0 CA-C-N 117.68 0.74 . . . . 25.0 114.217 -172.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.95 -154.69 17.75 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 117.326 0.563 . . . . 50.0 113.305 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.54 163.5 23.24 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 -172.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.62 -75.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.041 -0.981 . . . . 25.0 114.032 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -163.8 -29.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.849 1.055 . . . . 75.0 113.849 -169.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -51.87 123.18 9.68 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 122.884 1.326 . . . . 50.0 111.944 -172.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.3 t80 63.01 -51.59 0.19 Allowed 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.982 1.713 . . . . 75.0 113.99 -172.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.22 -60.7 0.25 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.364 0.666 . . . . 50.0 109.573 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -144.36 10.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 114.826 1.417 . . . . 50.0 114.826 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -86.14 168.78 13.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.845 0.748 . . . . 50.0 112.01 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.59 124.8 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.594 -0.691 . . . . 50.0 111.064 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.7 tp -95.4 -47.71 6.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.502 -0.317 . . . . 50.0 111.746 174.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.2 mt -144.96 -56.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 122.163 0.185 . . . . 50.0 111.384 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -98.18 76.9 2.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 122.23 1.014 . . . . 50.0 110.64 -173.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.218 -0.581 0 N-CA-C 112.805 0.669 . . . . 50.0 112.805 -171.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.211 0 N-CA-C 109.326 -1.51 . . . . 25.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.6 31.56 0.42 Allowed Glycine 0 CA--C 1.517 0.192 0 N-CA-C 117.518 1.767 . . . . 25.0 117.518 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.54 35.55 0.47 Allowed Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 117.39 0.595 . . . . 25.0 112.978 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.28 -168.58 32.58 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 110.943 -0.863 . . . . 50.0 110.943 -177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -119.43 168.14 11.25 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.56 -80.27 0.21 Allowed Glycine 0 CA--C 1.517 0.161 0 N-CA-C 115.624 1.01 . . . . 25.0 115.624 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -144.04 -107.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.935 -1.135 . . . . 75.0 107.935 -174.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.51 -71.7 0.06 Allowed 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 125.462 1.505 . . . . 50.0 113.301 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -136.09 -63.18 0.65 Allowed 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.7 0.8 . . . . 75.0 108.878 177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -141.53 85.65 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.126 0.488 . . . . 50.0 110.52 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt 52.77 44.87 29.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.642 -0.708 . . . . 50.0 112.28 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -117.02 156.0 28.25 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.679 -0.86 . . . . 50.0 108.679 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -64.3 132.33 49.89 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.857 -0.737 . . . . 50.0 112.096 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -98.39 -40.41 8.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.9 -0.591 . . . . 50.0 110.797 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.4 mt -123.63 -48.28 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 50.0 110.432 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -89.75 78.85 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.322 1.058 . . . . 50.0 111.123 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 82.7 m . . . . . 0 C--O 1.215 -0.712 0 CA-C-N 115.372 -0.831 . . . . 50.0 112.694 -179.808 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.239 0 CA-C-O 119.869 -0.406 . . . . 25.0 113.614 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.07 -33.46 4.87 Favored Glycine 0 C--N 1.331 0.256 0 N-CA-C 117.023 1.569 . . . . 25.0 117.023 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.4 79.55 0.09 OUTLIER Glycine 0 CA--C 1.517 0.198 0 CA-C-N 117.926 0.863 . . . . 25.0 113.737 -176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.41 -172.54 28.62 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 110.359 -1.096 . . . . 50.0 110.359 -177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -137.42 151.83 48.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.623 0.712 . . . . 25.0 111.772 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.81 83.58 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.578 -0.737 . . . . 25.0 112.482 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER 72.38 -118.71 0.07 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.276 1.03 . . . . 75.0 112.917 -179.139 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 57.3 -164.06 0.17 Allowed 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 123.151 1.453 . . . . 50.0 111.373 -177.284 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -69.4 -41.53 76.3 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.769 -1.207 . . . . 75.0 112.922 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -138.39 62.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.457 0.646 . . . . 50.0 111.798 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 60.19 14.04 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.367 1.067 . . . . 50.0 113.706 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -83.52 -172.05 3.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.45 -0.574 . . . . 50.0 109.45 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 p -75.7 107.72 8.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 116.223 1.934 . . . . 50.0 116.223 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.75 -38.25 62.27 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.872 -0.518 . . . . 50.0 111.132 163.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -121.18 -48.87 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.516 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -94.03 75.1 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.381 1.086 . . . . 50.0 110.642 -166.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.217 -0.654 0 N-CA-C 113.724 1.009 . . . . 50.0 113.724 -165.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.184 0 N-CA-C 115.714 1.046 . . . . 25.0 115.714 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.33 -138.54 3.16 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 117.946 0.873 . . . . 25.0 113.311 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.46 133.75 4.23 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 111.057 -0.817 . . . . 25.0 111.057 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.94 -145.27 15.89 Favored Glycine 0 N--CA 1.453 -0.196 0 N-CA-C 108.216 -1.954 . . . . 50.0 108.216 -170.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.09 148.99 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.336 1.068 . . . . 25.0 112.244 177.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.05 93.12 0.26 Allowed Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.916 -0.584 . . . . 25.0 112.617 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 70.36 -137.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.829 0.852 . . . . 75.0 110.461 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 68.43 -11.04 0.41 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.155 1.539 . . . . 50.0 115.155 172.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 61.38 -179.49 0.11 Allowed 'General case' 0 C--N 1.346 0.417 0 N-CA-C 108.449 -0.945 . . . . 75.0 108.449 -157.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.95 22.34 7.1 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 114.312 1.227 . . . . 50.0 114.312 174.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 54.73 25.47 6.55 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.94 0.896 . . . . 50.0 112.772 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.83 175.0 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.53 0.332 . . . . 50.0 111.473 -175.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.7 t -93.36 130.04 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.242 1.201 . . . . 50.0 114.242 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.2 tp -105.03 -41.86 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.255 0.835 . . . . 50.0 113.255 169.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mm -127.86 116.68 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.484 0.55 . . . . 50.0 112.484 -167.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' O ' ' HC ' ' A' ' 17' ' ' CYS . 22.4 m-85 53.2 52.88 12.78 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 122.899 1.333 . . . . 50.0 113.079 168.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.527 ' HC ' ' O ' ' A' ' 16' ' ' PHE . 7.8 m . . . . . 0 C--O 1.217 -0.63 0 CA-C-N 115.346 -0.843 . . . . 50.0 112.914 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.133 0 N-CA-C 117.733 1.853 . . . . 25.0 117.733 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.32 -134.99 1.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 112.066 -0.414 . . . . 25.0 112.066 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -124.78 59.94 0.63 Allowed Glycine 0 N--CA 1.454 -0.145 0 N-CA-C 114.915 0.726 . . . . 25.0 114.915 -173.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.63 -145.31 12.35 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-O 119.313 -0.715 . . . . 50.0 111.609 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -120.91 158.65 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.883 0.841 . . . . 25.0 112.949 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.93 -83.0 0.17 Allowed Glycine 0 CA--C 1.517 0.209 0 N-CA-C 115.897 1.119 . . . . 25.0 115.897 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -154.47 -30.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 115.579 1.696 . . . . 75.0 115.579 -166.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.58 113.23 0.66 Allowed 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 122.614 1.197 . . . . 50.0 111.995 -174.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 66.93 -48.63 0.47 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.379 1.472 . . . . 75.0 113.147 -175.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -139.55 -67.99 0.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.894 0.478 . . . . 50.0 110.121 170.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -147.02 35.74 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.403 1.26 . . . . 50.0 114.403 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -105.34 167.72 9.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.951 0.722 . . . . 50.0 112.951 175.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -61.05 117.28 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.643 -0.661 . . . . 50.0 110.655 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -86.58 57.74 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.853 -0.795 . . . . 50.0 108.853 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.4 mt 70.92 -50.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 125.549 1.54 . . . . 50.0 111.631 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.444 ' O ' ' HC ' ' A' ' 17' ' ' CYS . 14.4 m-85 -99.46 12.65 35.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.164 0.983 . . . . 50.0 111.673 -171.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.444 ' HC ' ' O ' ' A' ' 16' ' ' PHE . 95.0 m . . . . . 0 C--O 1.216 -0.674 0 CA-C-O 118.28 -0.867 . . . . 50.0 112.335 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.214 0 CA-C-O 119.215 -0.77 . . . . 25.0 114.791 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.38 -21.49 2.49 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 118.937 2.335 . . . . 25.0 118.937 -173.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -113.97 -138.14 6.81 Favored Glycine 0 N--CA 1.453 -0.178 0 CA-C-N 118.528 1.164 . . . . 25.0 113.89 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.43 -104.78 0.03 OUTLIER Glycine 0 C--N 1.33 0.218 0 CA-C-O 120.016 -0.325 . . . . 25.0 112.673 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.14 138.67 29.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.909 0.854 . . . . 25.0 109.498 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.63 -138.27 5.86 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.238 -0.745 . . . . 25.0 111.238 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.5 164.21 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.014 0.407 . . . . 25.0 111.312 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 85.39 88.01 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 123.947 1.832 . . . . 25.0 111.909 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -146.5 0.43 Allowed 'General case' 0 C--N 1.346 0.44 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -176.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -120.82 21.47 11.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 118.504 0.593 . . . . 25.0 111.434 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -106.78 -68.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.71 157.38 45.13 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.63 0.372 . . . . 25.0 110.413 -175.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 162.02 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 115.138 1.533 . . . . 25.0 115.138 -169.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.8 tp -84.14 53.48 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.49 -0.777 . . . . 25.0 110.889 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.9 mt 69.23 -59.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 125.34 1.456 . . . . 25.0 112.843 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -87.54 64.39 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.582 1.182 . . . . 25.0 109.448 -174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.216 -0.694 0 CA-C-N 115.633 -0.712 . . . . 25.0 112.406 -174.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.128 0 N-CA-C 111.534 -0.626 . . . . 25.0 111.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.01 -12.59 84.24 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 116.664 1.426 . . . . 25.0 116.664 -176.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.36 -29.72 1.61 Allowed Glycine 0 C--N 1.331 0.255 0 CA-C-N 117.899 0.849 . . . . 25.0 114.862 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.66 -165.45 21.83 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 110.481 -1.048 . . . . 25.0 110.481 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ptt-85 -118.03 156.72 28.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.607 0.704 . . . . 25.0 112.33 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.1 76.46 0.14 Allowed Glycine 0 CA--C 1.517 0.165 0 CA-C-O 119.737 -0.479 . . . . 25.0 114.243 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 74.87 -111.45 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.488 1.115 . . . . 25.0 113.414 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' H ' ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER 55.16 -153.8 0.31 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 122.479 1.133 . . . . 25.0 111.258 -174.022 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -66.31 -40.98 90.33 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.683 -1.261 . . . . 25.0 113.561 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -124.62 -61.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.454 0.539 . . . . 25.0 112.454 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.67 8.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 171.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -76.38 178.87 6.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.593 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -76.26 121.86 23.55 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.145 0.795 . . . . 25.0 113.145 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HB2' ' H ' ' A' ' 8' ' ' GLU . 41.1 tp -78.84 -40.37 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 172.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.5 mt -121.63 -52.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.215 0.45 . . . . 25.0 112.215 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -91.57 66.91 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.508 1.147 . . . . 25.0 112.314 -170.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.215 -0.736 0 CA-C-N 115.44 -0.8 . . . . 25.0 112.048 177.208 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.205 0 N-CA-C 112.328 -0.309 . . . . 25.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.51 8.31 22.33 Favored Glycine 0 C--N 1.329 0.18 0 N-CA-C 115.19 0.836 . . . . 25.0 115.19 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -114.31 98.7 0.9 Allowed Glycine 0 N--CA 1.453 -0.177 0 CA-C-N 117.353 0.576 . . . . 25.0 114.403 -174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.2 -163.98 21.24 Favored Glycine 0 C--N 1.328 0.137 0 CA-C-O 119.967 -0.352 . . . . 25.0 113.149 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -136.85 135.42 37.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.95 -38.97 0.2 Allowed Glycine 0 CA--C 1.518 0.262 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -165.08 -130.56 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.488 1.144 . . . . 25.0 111.744 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 61.37 -80.24 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 125.741 1.616 . . . . 25.0 113.723 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -102.19 -49.0 4.03 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.35 -0.841 . . . . 25.0 110.739 -167.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -179.05 -48.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.361 1.064 . . . . 25.0 108.278 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -122.8 -20.91 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.159 1.17 . . . . 25.0 114.159 -174.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -76.2 -176.64 3.64 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.321 0.648 . . . . 25.0 110.24 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.63 157.88 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.7 tp -98.79 -73.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 114.444 1.275 . . . . 25.0 114.444 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.6 mm -137.72 129.57 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -176.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 53.57 55.16 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 122.113 0.959 . . . . 25.0 110.804 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.217 -0.651 0 O-C-N 121.795 -0.565 . . . . 25.0 112.405 -177.222 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.124 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.43 40.67 1.63 Allowed Glycine 0 C--N 1.33 0.219 0 N-CA-C 118.4 2.12 . . . . 25.0 118.4 -171.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.64 -63.79 0.37 Allowed Glycine 0 C--N 1.33 0.219 0 CA-C-N 118.83 1.315 . . . . 25.0 116.22 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.88 -166.68 41.99 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.236 -0.746 . . . . 25.0 111.236 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -124.55 138.9 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.188 0.494 . . . . 25.0 110.564 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.62 89.76 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.173 0 N-CA-C 111.771 -0.532 . . . . 25.0 111.771 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER 72.91 -123.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.275 1.03 . . . . 25.0 111.963 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.456 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 61.42 -164.91 0.23 Allowed 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 122.524 1.154 . . . . 25.0 111.26 -176.347 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -61.25 -44.77 96.7 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.836 -1.165 . . . . 25.0 110.115 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.91 130.96 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.639 170.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 62.52 6.67 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 117.347 2.351 . . . . 25.0 117.347 167.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -123.02 174.54 7.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.103 0.41 . . . . 25.0 111.468 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.7 p -81.02 129.41 34.53 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.661 1.356 . . . . 25.0 114.661 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -96.47 -50.22 4.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 174.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.1 mt -111.66 -49.82 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.192 0.52 . . . . 25.0 110.297 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -97.36 101.66 13.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 25.0 109.051 -170.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.215 -0.735 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -173.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.229 0 N-CA-C 114.572 0.589 . . . . 25.0 114.572 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.44 -70.74 0.45 Allowed Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 115.877 1.111 . . . . 25.0 115.877 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.53 -72.96 0.93 Allowed Glycine 0 C--N 1.33 0.201 0 N-CA-C 116.619 1.408 . . . . 25.0 116.619 -169.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.06 -163.47 34.24 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.598 -0.811 . . . . 25.0 112.393 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -124.85 151.6 45.07 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.661 -0.317 . . . . 25.0 111.582 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.95 84.01 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.099 -177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 72.53 -117.05 0.06 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.134 0.974 . . . . 25.0 112.423 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' H ' ' HB2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER 60.38 -149.47 0.43 Allowed 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 122.344 1.069 . . . . 25.0 110.952 -172.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -82.27 -37.18 26.25 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 120.667 -1.271 . . . . 25.0 112.381 -173.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -122.73 -81.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.704 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -149.25 57.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.307 0.643 . . . . 25.0 109.509 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -134.51 179.75 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.156 -172.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.42 121.96 19.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 114.84 1.422 . . . . 25.0 114.84 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HB2' ' H ' ' A' ' 8' ' ' GLU . 29.9 tp -90.7 -48.39 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 167.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -137.69 -58.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -100.75 80.55 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.427 1.108 . . . . 25.0 110.098 -173.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 118.206 -0.902 . . . . 25.0 113.192 -169.228 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.188 0 N-CA-C 110.826 -0.91 . . . . 25.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.78 85.66 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 116.161 1.225 . . . . 25.0 116.161 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.64 -75.97 0.4 Allowed Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 121.833 -0.222 . . . . 25.0 113.517 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 -176.28 33.83 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.911 -0.876 . . . . 25.0 110.911 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -113.81 161.3 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.466 -0.432 . . . . 25.0 111.364 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.57 -105.69 0.26 Allowed Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 115.381 0.913 . . . . 25.0 115.381 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -127.84 -39.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.615 0.968 . . . . 25.0 113.615 -169.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -43.35 103.42 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.136 1.374 . . . . 25.0 113.209 -173.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.9 t80 64.09 -67.64 0.1 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.142 1.377 . . . . 25.0 113.777 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.94 84.0 1.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.511 -0.552 . . . . 25.0 109.511 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 61.85 22.08 12.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.937 1.458 . . . . 25.0 114.937 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -99.18 164.37 12.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.726 . . . . 25.0 111.69 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.18 127.4 31.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.8 tp -114.32 59.44 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mt 75.26 -51.48 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 C-N-CA 125.51 1.524 . . . . 25.0 110.542 -173.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.78 65.25 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.53 1.157 . . . . 25.0 109.45 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.216 -0.667 0 CA-C-N 115.755 -0.657 . . . . 25.0 112.417 -170.292 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.079 0 CA-C-O 120.308 -0.162 . . . . 25.0 113.062 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.14 -24.59 26.56 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 116.959 1.544 . . . . 25.0 116.959 -174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.47 98.48 0.13 Allowed Glycine 0 C--O 1.229 -0.184 0 CA-C-N 118.096 0.948 . . . . 25.0 114.192 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.86 -159.65 23.79 Favored Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 109.975 -1.25 . . . . 25.0 109.975 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -138.73 147.95 43.31 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.48 90.68 0.42 Allowed Glycine 0 CA--C 1.517 0.18 0 CA-C-O 119.477 -0.624 . . . . 25.0 113.736 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 72.22 -135.38 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.223 1.009 . . . . 25.0 111.2 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 50.52 90.61 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.422 1.582 . . . . 25.0 113.888 172.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 39.7 t80 71.49 -51.92 0.69 Allowed 'General case' 0 C--N 1.348 0.509 0 CA-C-N 114.348 -1.296 . . . . 25.0 113.167 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.22 -64.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.467 0.543 . . . . 25.0 112.467 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -135.64 -2.73 2.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.41 170.39 16.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.251 0.62 . . . . 25.0 111.953 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -74.32 120.39 19.82 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.663 1.357 . . . . 25.0 114.663 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -88.85 -46.7 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.389 0.885 . . . . 25.0 113.389 171.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.8 mt -135.6 -53.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 113.896 1.073 . . . . 25.0 113.896 -176.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.8 54.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.352 1.073 . . . . 25.0 112.445 -162.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.215 -0.72 0 O-C-N 121.524 -0.735 . . . . 25.0 112.586 -170.093 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.241 0 N-CA-C 114.869 0.707 . . . . 25.0 114.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.23 -151.81 6.39 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 117.538 0.669 . . . . 25.0 112.432 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.43 -61.63 0.52 Allowed Glycine 0 C--N 1.33 0.199 0 N-CA-C 117.203 1.641 . . . . 25.0 117.203 -172.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.0 -156.96 9.12 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 110.937 -0.865 . . . . 25.0 110.937 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -117.91 128.47 54.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 118.523 1.162 . . . . 25.0 111.824 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.03 -120.3 0.53 Allowed Glycine 0 N--CA 1.453 -0.217 0 N-CA-C 110.267 -1.133 . . . . 25.0 110.267 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -162.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 170.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER 84.4 143.87 0.06 Allowed 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 124.647 1.179 . . . . 25.0 110.848 -177.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' GLU . 35.4 t80 7.84 -83.37 0.0 OUTLIER 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.569 1.692 . . . . 25.0 115.569 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -162.24 154.78 19.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 164.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 69.88 -27.54 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 116.427 2.01 . . . . 25.0 116.427 173.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.68 -160.88 0.83 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.778 0.431 . . . . 25.0 110.154 178.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -129.93 148.02 51.74 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.875 0.87 . . . . 25.0 112.668 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.7 tp -102.11 -52.63 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.7 mt -139.0 -57.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.613 0.244 . . . . 25.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -97.42 105.31 17.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 25.0 109.814 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.216 -0.679 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -170.234 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.151 0 N-CA-C 112.233 -0.347 . . . . 25.0 112.233 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.53 -3.96 49.78 Favored Glycine 0 N--CA 1.453 -0.201 0 N-CA-C 115.416 0.927 . . . . 25.0 115.416 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.47 -146.97 10.15 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 117.216 0.508 . . . . 25.0 112.239 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.26 -98.97 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 115.013 0.765 . . . . 25.0 115.013 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.15 152.9 52.04 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.068 -0.666 . . . . 25.0 112.244 -177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.39 71.83 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 N-CA-C 114.938 0.735 . . . . 25.0 114.938 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.9 t80 79.7 -28.52 0.14 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 119.359 3.096 . . . . 25.0 119.359 164.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.65 97.11 0.05 Allowed 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 122.927 1.346 . . . . 25.0 113.433 -173.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 70.31 -45.48 0.59 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.463 1.653 . . . . 25.0 115.463 165.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -128.15 -77.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.412 -0.959 . . . . 25.0 108.412 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -135.02 -6.1 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.78 169.89 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 -160.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.5 t -70.38 125.48 26.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.091 0.775 . . . . 25.0 113.091 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -96.35 -40.24 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 178.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 mt -132.81 142.7 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 111.737 0.273 . . . . 25.0 111.737 -170.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 62.18 24.9 14.87 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.587 1.155 . . . . 25.0 113.266 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.216 -0.7 0 O-C-N 121.506 -0.746 . . . . 25.0 112.354 -176.765 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.245 0 N-CA-C 115.466 0.946 . . . . 25.0 115.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.58 22.99 13.94 Favored Glycine 0 N--CA 1.452 -0.265 0 N-CA-C 115.626 1.01 . . . . 25.0 115.626 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.11 -49.24 3.94 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 115.11 0.804 . . . . 25.0 115.11 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.5 -150.83 2.21 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.829 -0.508 . . . . 25.0 111.829 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.39 153.12 46.62 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.087 -0.655 . . . . 25.0 111.572 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.6 82.07 0.12 Allowed Glycine 0 N--CA 1.453 -0.203 0 CA-C-N 115.656 -0.702 . . . . 25.0 113.512 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 72.97 -126.17 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.201 1.0 . . . . 25.0 112.038 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.31 -156.02 0.34 Allowed 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.651 1.215 . . . . 25.0 112.75 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -65.71 -40.34 92.13 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -170.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -122.44 -71.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 15.46 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.099 170.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.22 176.75 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.891 -0.595 . . . . 25.0 111.104 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.3 t -69.55 120.85 15.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.482 0.549 . . . . 25.0 112.482 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 tp -101.21 -48.39 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.983 164.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mm -126.28 -49.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -97.8 39.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.339 1.066 . . . . 25.0 112.735 -158.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.215 -0.715 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.832 178.007 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.163 0 N-CA-C 116.291 1.276 . . . . 25.0 116.291 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.7 30.1 4.31 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 115.91 1.124 . . . . 25.0 115.91 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.96 -49.24 4.2 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 116.231 1.252 . . . . 25.0 116.231 175.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.0 -155.98 16.76 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 111.298 -0.721 . . . . 25.0 111.298 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -108.78 161.82 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 118.136 0.968 . . . . 25.0 112.724 -176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.56 -153.38 24.8 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.409 -0.424 . . . . 25.0 113.167 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -70.87 -38.95 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 115.253 1.575 . . . . 25.0 115.253 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.58 121.98 12.29 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 122.764 1.269 . . . . 25.0 113.005 -159.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.1 t80 61.3 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.827 1.418 . . . . 25.0 114.827 174.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -145.77 82.69 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt 60.2 29.61 19.16 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -108.1 166.1 10.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.942 0.877 . . . . 25.0 112.633 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.0 t -61.12 126.9 29.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.668 0.618 . . . . 25.0 112.668 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 tp -105.86 -53.19 2.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.626 169.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.2 mt -136.62 -53.28 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 176.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -101.84 85.68 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.295 1.045 . . . . 25.0 108.867 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.219 -0.508 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -167.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.118 0 N-CA-C 116.007 1.163 . . . . 25.0 116.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.84 34.23 0.04 OUTLIER Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.533 -0.334 . . . . 25.0 112.44 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.04 -164.16 28.9 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 110.019 -1.232 . . . . 25.0 110.019 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.39 -90.35 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 117.218 1.647 . . . . 25.0 117.218 -175.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -142.01 134.7 28.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.947 0.874 . . . . 25.0 112.367 -175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.32 -68.29 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.037 -0.602 . . . . 25.0 114.218 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 3.2 t80 -157.2 -107.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER 57.24 -97.15 0.07 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 124.672 1.189 . . . . 25.0 112.611 174.251 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -82.42 -39.09 23.11 Favored 'General case' 0 C--N 1.343 0.32 0 O-C-N 121.218 -0.926 . . . . 25.0 110.571 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 172.24 -44.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.413 1.485 . . . . 25.0 109.127 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.41 21.58 4.36 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 114.762 1.394 . . . . 25.0 114.762 -174.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -124.55 152.98 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 122.366 0.266 . . . . 25.0 111.431 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 m -61.82 143.49 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.226 -0.589 . . . . 25.0 110.83 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.1 tp -88.81 58.08 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.045 -1.094 . . . . 25.0 108.045 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER 58.75 179.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -171.248 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' H ' HG22 ' A' ' 15' ' ' ILE . 7.9 m-85 57.39 30.76 19.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.415 1.103 . . . . 25.0 111.376 174.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.217 -0.638 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.209 -171.65 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.153 0 N-CA-C 115.527 0.971 . . . . 25.0 115.527 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.88 65.84 0.3 Allowed Glycine 0 N--CA 1.453 -0.18 0 N-CA-C 110.148 -1.181 . . . . 25.0 110.148 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.99 -145.32 6.38 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 109.396 -1.482 . . . . 25.0 109.396 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.47 -110.02 0.03 OUTLIER Glycine 0 CA--C 1.518 0.229 0 CA-C-N 117.445 0.623 . . . . 25.0 112.974 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -143.2 142.04 31.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 117.966 0.883 . . . . 25.0 111.96 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.43 -144.56 10.32 Favored Glycine 0 N--CA 1.453 -0.19 0 N-CA-C 110.738 -0.945 . . . . 25.0 110.738 -172.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -60.08 156.49 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.06 0.43 . . . . 25.0 111.079 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 107.88 90.5 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 127.43 2.292 . . . . 25.0 111.141 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.4 t80 60.19 -112.38 0.55 Allowed 'General case' 0 C--N 1.345 0.382 0 CA-C-N 114.156 -1.384 . . . . 25.0 108.106 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -145.97 19.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.539 0.608 . . . . 25.0 110.947 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -118.86 -60.21 1.78 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 -162.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -136.12 165.83 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.545 0.338 . . . . 25.0 110.455 -176.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 150.93 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -80.41 49.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.525 0.679 . . . . 25.0 111.532 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt 65.97 155.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 124.428 1.091 . . . . 25.0 108.736 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 55.63 44.33 26.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 122.27 1.034 . . . . 25.0 111.115 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.216 -0.692 0 O-C-N 121.518 -0.739 . . . . 25.0 111.936 -175.435 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.212 0 N-CA-C 114.102 0.401 . . . . 25.0 114.102 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.6 -144.37 4.08 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 117.25 0.525 . . . . 25.0 112.145 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.05 88.59 0.17 Allowed Glycine 0 CA--C 1.518 0.222 0 N-CA-C 112.045 -0.422 . . . . 25.0 112.045 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.0 -137.72 6.09 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 108.405 -1.878 . . . . 25.0 108.405 -173.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.16 148.86 30.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.333 1.067 . . . . 25.0 111.909 171.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.93 103.93 0.87 Allowed Glycine 0 CA--C 1.518 0.243 0 N-CA-C 114.742 0.657 . . . . 25.0 114.742 174.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 66.88 -148.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -175.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 73.02 -5.47 1.92 Allowed 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 122.649 1.214 . . . . 25.0 114.226 170.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.65 -159.79 0.31 Allowed 'General case' 0 C--N 1.345 0.397 0 N-CA-C 106.756 -1.572 . . . . 25.0 106.756 -173.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.7 t30 44.85 -110.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.05 0.54 . . . . 25.0 110.379 -177.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.58 40.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 173.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -123.97 -170.37 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 25.0 111.271 173.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 p -97.3 158.12 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.079 0.552 . . . . 25.0 112.063 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.44 -50.13 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.786 176.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.13 -53.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.658 0.266 . . . . 25.0 111.548 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -93.96 66.2 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.659 1.218 . . . . 25.0 110.81 -173.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 C--O 1.216 -0.673 0 CA-C-N 115.253 -0.885 . . . . 25.0 112.81 -178.118 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.109 0 N-CA-C 115.079 0.792 . . . . 25.0 115.079 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.23 -36.41 0.25 Allowed Glycine 0 CA--C 1.517 0.196 0 C-N-CA 121.691 -0.29 . . . . 25.0 112.404 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.8 -136.46 3.26 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.683 -0.567 . . . . 25.0 111.683 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -109.5 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 115.678 1.031 . . . . 25.0 115.678 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -133.77 161.16 35.46 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -175.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.45 -43.95 0.67 Allowed Glycine 0 CA--C 1.518 0.262 0 N-CA-C 116.71 1.444 . . . . 25.0 116.71 172.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.445 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 2.3 t80 -164.25 -115.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.8 OUTLIER 60.1 -90.74 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 125.4 1.48 . . . . 25.0 112.772 176.266 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.15 -39.66 12.01 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 121.344 -0.848 . . . . 25.0 109.992 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.15 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.783 1.233 . . . . 25.0 109.764 177.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -125.91 20.77 7.65 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -121.94 158.43 29.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.147 0.499 . . . . 25.0 111.431 -173.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.1 t -73.17 133.8 44.18 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.486 -0.759 . . . . 25.0 112.363 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tt -94.62 -53.41 3.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 25.0 111.74 174.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.62 -51.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -94.91 47.69 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.571 1.177 . . . . 25.0 111.722 -156.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.216 -0.664 0 CA-C-N 115.739 -0.664 . . . . 25.0 112.569 -168.428 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.177 0 N-CA-C 111.208 -0.757 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.2 -44.67 0.19 Allowed Glycine 0 C--O 1.229 -0.176 0 N-CA-C 117.229 1.652 . . . . 25.0 117.229 -176.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.77 93.07 0.46 Allowed Glycine 0 C--O 1.228 -0.244 0 CA-C-N 117.68 0.74 . . . . 25.0 114.217 -172.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.95 -154.69 17.75 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 117.326 0.563 . . . . 25.0 113.305 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.54 163.5 23.24 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 -172.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.62 -75.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.041 -0.981 . . . . 25.0 114.032 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -163.8 -29.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -169.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -51.87 123.18 9.68 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 122.884 1.326 . . . . 25.0 111.944 -172.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.3 t80 63.01 -51.59 0.19 Allowed 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.982 1.713 . . . . 25.0 113.99 -172.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.22 -60.7 0.25 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.364 0.666 . . . . 25.0 109.573 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -144.36 10.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -86.14 168.78 13.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.845 0.748 . . . . 25.0 112.01 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.59 124.8 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.594 -0.691 . . . . 25.0 111.064 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.7 tp -95.4 -47.71 6.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.502 -0.317 . . . . 25.0 111.746 174.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.2 mt -144.96 -56.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 122.163 0.185 . . . . 25.0 111.384 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -98.18 76.9 2.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 122.23 1.014 . . . . 25.0 110.64 -173.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.218 -0.581 0 N-CA-C 112.805 0.669 . . . . 25.0 112.805 -171.876 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.211 0 N-CA-C 109.326 -1.51 . . . . 25.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.6 31.56 0.42 Allowed Glycine 0 CA--C 1.517 0.192 0 N-CA-C 117.518 1.767 . . . . 25.0 117.518 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.54 35.55 0.47 Allowed Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 117.39 0.595 . . . . 25.0 112.978 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.28 -168.58 32.58 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 110.943 -0.863 . . . . 25.0 110.943 -177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -119.43 168.14 11.25 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.56 -80.27 0.21 Allowed Glycine 0 CA--C 1.517 0.161 0 N-CA-C 115.624 1.01 . . . . 25.0 115.624 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -144.04 -107.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -174.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.51 -71.7 0.06 Allowed 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 125.462 1.505 . . . . 25.0 113.301 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -136.09 -63.18 0.65 Allowed 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.7 0.8 . . . . 25.0 108.878 177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -141.53 85.65 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.126 0.488 . . . . 25.0 110.52 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt 52.77 44.87 29.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.642 -0.708 . . . . 25.0 112.28 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -117.02 156.0 28.25 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -64.3 132.33 49.89 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.857 -0.737 . . . . 25.0 112.096 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -98.39 -40.41 8.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.797 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.4 mt -123.63 -48.28 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.432 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -89.75 78.85 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.322 1.058 . . . . 25.0 111.123 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 82.7 m . . . . . 0 C--O 1.215 -0.712 0 CA-C-N 115.372 -0.831 . . . . 25.0 112.694 -179.808 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.239 0 CA-C-O 119.869 -0.406 . . . . 25.0 113.614 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.07 -33.46 4.87 Favored Glycine 0 C--N 1.331 0.256 0 N-CA-C 117.023 1.569 . . . . 25.0 117.023 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.4 79.55 0.09 OUTLIER Glycine 0 CA--C 1.517 0.198 0 CA-C-N 117.926 0.863 . . . . 25.0 113.737 -176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.41 -172.54 28.62 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 110.359 -1.096 . . . . 25.0 110.359 -177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -137.42 151.83 48.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.623 0.712 . . . . 25.0 111.772 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.81 83.58 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.578 -0.737 . . . . 25.0 112.482 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.468 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER 72.38 -118.71 0.07 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.276 1.03 . . . . 25.0 112.917 -179.139 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 57.3 -164.06 0.17 Allowed 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 123.151 1.453 . . . . 25.0 111.373 -177.284 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -69.4 -41.53 76.3 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.769 -1.207 . . . . 25.0 112.922 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -138.39 62.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.457 0.646 . . . . 25.0 111.798 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 60.19 14.04 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.367 1.067 . . . . 25.0 113.706 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -83.52 -172.05 3.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 p -75.7 107.72 8.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 116.223 1.934 . . . . 25.0 116.223 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.75 -38.25 62.27 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.872 -0.518 . . . . 25.0 111.132 163.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -121.18 -48.87 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 25.0 111.516 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -94.03 75.1 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.381 1.086 . . . . 25.0 110.642 -166.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.217 -0.654 0 N-CA-C 113.724 1.009 . . . . 25.0 113.724 -165.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.184 0 N-CA-C 115.714 1.046 . . . . 25.0 115.714 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.33 -138.54 3.16 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 117.946 0.873 . . . . 25.0 113.311 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.46 133.75 4.23 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 111.057 -0.817 . . . . 25.0 111.057 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.94 -145.27 15.89 Favored Glycine 0 N--CA 1.453 -0.196 0 N-CA-C 108.216 -1.954 . . . . 25.0 108.216 -170.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.09 148.99 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.336 1.068 . . . . 25.0 112.244 177.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.05 93.12 0.26 Allowed Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.916 -0.584 . . . . 25.0 112.617 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 70.36 -137.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.829 0.852 . . . . 25.0 110.461 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 68.43 -11.04 0.41 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.155 1.539 . . . . 25.0 115.155 172.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 61.38 -179.49 0.11 Allowed 'General case' 0 C--N 1.346 0.417 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -157.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.95 22.34 7.1 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 114.312 1.227 . . . . 25.0 114.312 174.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 54.73 25.47 6.55 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.94 0.896 . . . . 25.0 112.772 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.83 175.0 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.53 0.332 . . . . 25.0 111.473 -175.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.7 t -93.36 130.04 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.242 1.201 . . . . 25.0 114.242 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.2 tp -105.03 -41.86 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 169.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mm -127.86 116.68 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -167.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 53.2 52.88 12.78 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 122.899 1.333 . . . . 25.0 113.079 168.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.217 -0.63 0 CA-C-N 115.346 -0.843 . . . . 25.0 112.914 -177.737 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.133 0 N-CA-C 117.733 1.853 . . . . 25.0 117.733 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.32 -134.99 1.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 112.066 -0.414 . . . . 25.0 112.066 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -124.78 59.94 0.63 Allowed Glycine 0 N--CA 1.454 -0.145 0 N-CA-C 114.915 0.726 . . . . 25.0 114.915 -173.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.63 -145.31 12.35 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-O 119.313 -0.715 . . . . 25.0 111.609 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -120.91 158.65 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.883 0.841 . . . . 25.0 112.949 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.93 -83.0 0.17 Allowed Glycine 0 CA--C 1.517 0.209 0 N-CA-C 115.897 1.119 . . . . 25.0 115.897 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -154.47 -30.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 115.579 1.696 . . . . 25.0 115.579 -166.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.58 113.23 0.66 Allowed 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 122.614 1.197 . . . . 25.0 111.995 -174.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 66.93 -48.63 0.47 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.379 1.472 . . . . 25.0 113.147 -175.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -139.55 -67.99 0.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.894 0.478 . . . . 25.0 110.121 170.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -147.02 35.74 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.403 1.26 . . . . 25.0 114.403 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -105.34 167.72 9.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.951 0.722 . . . . 25.0 112.951 175.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -61.05 117.28 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.643 -0.661 . . . . 25.0 110.655 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -86.58 57.74 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.4 mt 70.92 -50.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 125.549 1.54 . . . . 25.0 111.631 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -99.46 12.65 35.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.164 0.983 . . . . 25.0 111.673 -171.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.0 m . . . . . 0 C--O 1.216 -0.674 0 CA-C-O 118.28 -0.867 . . . . 25.0 112.335 -179.112 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.214 0 CA-C-O 119.215 -0.77 . . . . 25.0 114.791 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.38 -21.49 2.49 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 118.937 2.335 . . . . 25.0 118.937 -173.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -113.97 -138.14 6.81 Favored Glycine 0 N--CA 1.453 -0.178 0 CA-C-N 118.528 1.164 . . . . 25.0 113.89 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.43 -104.78 0.03 OUTLIER Glycine 0 C--N 1.33 0.218 0 CA-C-O 120.016 -0.325 . . . . 25.0 112.673 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.14 138.67 29.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.909 0.854 . . . . 25.0 109.498 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.63 -138.27 5.86 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.238 -0.745 . . . . 25.0 111.238 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.5 164.21 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.014 0.407 . . . . 25.0 111.312 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 85.39 88.01 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 123.947 1.832 . . . . 25.0 111.909 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -146.5 0.43 Allowed 'General case' 0 C--N 1.346 0.44 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -176.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -120.82 21.47 11.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 118.504 0.593 . . . . 25.0 111.434 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -106.78 -68.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.71 157.38 45.13 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.63 0.372 . . . . 25.0 110.413 -175.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 162.02 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 115.138 1.533 . . . . 25.0 115.138 -169.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.8 tp -84.14 53.48 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.49 -0.777 . . . . 25.0 110.889 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.9 mt 69.23 -59.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 125.34 1.456 . . . . 25.0 112.843 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -87.54 64.39 8.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.582 1.182 . . . . 25.0 109.448 -174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.216 -0.694 0 CA-C-N 115.633 -0.712 . . . . 25.0 112.406 -174.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.128 0 N-CA-C 111.534 -0.626 . . . . 25.0 111.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.01 -12.59 84.24 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 116.664 1.426 . . . . 25.0 116.664 -176.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.36 -29.72 1.61 Allowed Glycine 0 C--N 1.331 0.255 0 CA-C-N 117.899 0.849 . . . . 25.0 114.862 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.66 -165.45 21.83 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 110.481 -1.048 . . . . 25.0 110.481 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ptt-85 -118.03 156.72 28.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.607 0.704 . . . . 25.0 112.33 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.1 76.46 0.14 Allowed Glycine 0 CA--C 1.517 0.165 0 CA-C-O 119.737 -0.479 . . . . 25.0 114.243 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 74.87 -111.45 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.488 1.115 . . . . 25.0 113.414 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' H ' ' HB2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER 55.16 -153.8 0.31 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 122.479 1.133 . . . . 25.0 111.258 -174.022 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -66.31 -40.98 90.33 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.683 -1.261 . . . . 25.0 113.561 -176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.62 -61.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.454 0.539 . . . . 25.0 112.454 -176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.67 8.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 171.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -76.38 178.87 6.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.593 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -76.26 121.86 23.55 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.145 0.795 . . . . 25.0 113.145 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HB2' ' H ' ' A' ' 8' ' ' GLU . 41.1 tp -78.84 -40.37 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.386 0.513 . . . . 25.0 112.386 172.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.5 mt -121.63 -52.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.215 0.45 . . . . 25.0 112.215 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -91.57 66.91 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.508 1.147 . . . . 25.0 112.314 -170.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.215 -0.736 0 CA-C-N 115.44 -0.8 . . . . 25.0 112.048 177.208 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.205 0 N-CA-C 112.328 -0.309 . . . . 25.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.51 8.31 22.33 Favored Glycine 0 C--N 1.329 0.18 0 N-CA-C 115.19 0.836 . . . . 25.0 115.19 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -114.31 98.7 0.9 Allowed Glycine 0 N--CA 1.453 -0.177 0 CA-C-N 117.353 0.576 . . . . 25.0 114.403 -174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.2 -163.98 21.24 Favored Glycine 0 C--N 1.328 0.137 0 CA-C-O 119.967 -0.352 . . . . 25.0 113.149 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -136.85 135.42 37.89 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.95 -38.97 0.2 Allowed Glycine 0 CA--C 1.518 0.262 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -165.08 -130.56 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.488 1.144 . . . . 25.0 111.744 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 61.37 -80.24 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 125.741 1.616 . . . . 25.0 113.723 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -102.19 -49.0 4.03 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.35 -0.841 . . . . 25.0 110.739 -167.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.05 -48.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.361 1.064 . . . . 25.0 108.278 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -122.8 -20.91 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.159 1.17 . . . . 25.0 114.159 -174.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -76.2 -176.64 3.64 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.321 0.648 . . . . 25.0 110.24 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.63 157.88 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.7 tp -98.79 -73.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 114.444 1.275 . . . . 25.0 114.444 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.6 mm -137.72 129.57 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -176.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 53.57 55.16 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 122.113 0.959 . . . . 25.0 110.804 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.217 -0.651 0 O-C-N 121.795 -0.565 . . . . 25.0 112.405 -177.222 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.124 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.43 40.67 1.63 Allowed Glycine 0 C--N 1.33 0.219 0 N-CA-C 118.4 2.12 . . . . 25.0 118.4 -171.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.64 -63.79 0.37 Allowed Glycine 0 C--N 1.33 0.219 0 CA-C-N 118.83 1.315 . . . . 25.0 116.22 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.88 -166.68 41.99 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.236 -0.746 . . . . 25.0 111.236 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -124.55 138.9 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.188 0.494 . . . . 25.0 110.564 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.62 89.76 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.173 0 N-CA-C 111.771 -0.532 . . . . 25.0 111.771 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER 72.91 -123.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.275 1.03 . . . . 25.0 111.963 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.456 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 61.42 -164.91 0.23 Allowed 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 122.524 1.154 . . . . 25.0 111.26 -176.347 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -61.25 -44.77 96.7 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 120.836 -1.165 . . . . 25.0 110.115 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.91 130.96 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.639 170.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 62.52 6.67 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 117.347 2.351 . . . . 25.0 117.347 167.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -123.02 174.54 7.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.103 0.41 . . . . 25.0 111.468 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.7 p -81.02 129.41 34.53 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.661 1.356 . . . . 25.0 114.661 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -96.47 -50.22 4.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 174.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.1 mt -111.66 -49.82 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.192 0.52 . . . . 25.0 110.297 -176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -97.36 101.66 13.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 25.0 109.051 -170.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.215 -0.735 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -173.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.229 0 N-CA-C 114.572 0.589 . . . . 25.0 114.572 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.44 -70.74 0.45 Allowed Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 115.877 1.111 . . . . 25.0 115.877 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.53 -72.96 0.93 Allowed Glycine 0 C--N 1.33 0.201 0 N-CA-C 116.619 1.408 . . . . 25.0 116.619 -169.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.06 -163.47 34.24 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.598 -0.811 . . . . 25.0 112.393 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -124.85 151.6 45.07 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.661 -0.317 . . . . 25.0 111.582 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.95 84.01 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.099 -177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 72.53 -117.05 0.06 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.134 0.974 . . . . 25.0 112.423 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' H ' ' HB2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER 60.38 -149.47 0.43 Allowed 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 122.344 1.069 . . . . 25.0 110.952 -172.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -82.27 -37.18 26.25 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 120.667 -1.271 . . . . 25.0 112.381 -173.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.73 -81.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.943 -0.571 . . . . 25.0 110.704 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -149.25 57.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.307 0.643 . . . . 25.0 109.509 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -134.51 179.75 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.156 -172.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.42 121.96 19.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 114.84 1.422 . . . . 25.0 114.84 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HB2' ' H ' ' A' ' 8' ' ' GLU . 29.9 tp -90.7 -48.39 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 167.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -137.69 -58.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -100.75 80.55 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.427 1.108 . . . . 25.0 110.098 -173.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 118.206 -0.902 . . . . 25.0 113.192 -169.228 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.188 0 N-CA-C 110.826 -0.91 . . . . 25.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.78 85.66 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 116.161 1.225 . . . . 25.0 116.161 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.64 -75.97 0.4 Allowed Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 121.833 -0.222 . . . . 25.0 113.517 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 -176.28 33.83 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.911 -0.876 . . . . 25.0 110.911 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -113.81 161.3 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.466 -0.432 . . . . 25.0 111.364 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.57 -105.69 0.26 Allowed Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 115.381 0.913 . . . . 25.0 115.381 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -127.84 -39.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.615 0.968 . . . . 25.0 113.615 -169.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -43.35 103.42 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.136 1.374 . . . . 25.0 113.209 -173.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.9 t80 64.09 -67.64 0.1 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.142 1.377 . . . . 25.0 113.777 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.94 84.0 1.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.511 -0.552 . . . . 25.0 109.511 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 61.85 22.08 12.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.937 1.458 . . . . 25.0 114.937 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -99.18 164.37 12.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.726 . . . . 25.0 111.69 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.18 127.4 31.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.8 tp -114.32 59.44 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mt 75.26 -51.48 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 C-N-CA 125.51 1.524 . . . . 25.0 110.542 -173.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.78 65.25 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.53 1.157 . . . . 25.0 109.45 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.216 -0.667 0 CA-C-N 115.755 -0.657 . . . . 25.0 112.417 -170.292 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.079 0 CA-C-O 120.308 -0.162 . . . . 25.0 113.062 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.14 -24.59 26.56 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 116.959 1.544 . . . . 25.0 116.959 -174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.47 98.48 0.13 Allowed Glycine 0 C--O 1.229 -0.184 0 CA-C-N 118.096 0.948 . . . . 25.0 114.192 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.86 -159.65 23.79 Favored Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 109.975 -1.25 . . . . 25.0 109.975 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -138.73 147.95 43.31 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.48 90.68 0.42 Allowed Glycine 0 CA--C 1.517 0.18 0 CA-C-O 119.477 -0.624 . . . . 25.0 113.736 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 72.22 -135.38 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.223 1.009 . . . . 25.0 111.2 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 50.52 90.61 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.422 1.582 . . . . 25.0 113.888 172.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 39.7 t80 71.49 -51.92 0.69 Allowed 'General case' 0 C--N 1.348 0.509 0 CA-C-N 114.348 -1.296 . . . . 25.0 113.167 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.22 -64.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.467 0.543 . . . . 25.0 112.467 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -135.64 -2.73 2.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.41 170.39 16.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.251 0.62 . . . . 25.0 111.953 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -74.32 120.39 19.82 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.663 1.357 . . . . 25.0 114.663 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.5 tp -88.85 -46.7 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.389 0.885 . . . . 25.0 113.389 171.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.8 mt -135.6 -53.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 113.896 1.073 . . . . 25.0 113.896 -176.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.8 54.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.352 1.073 . . . . 25.0 112.445 -162.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.215 -0.72 0 O-C-N 121.524 -0.735 . . . . 25.0 112.586 -170.093 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.241 0 N-CA-C 114.869 0.707 . . . . 25.0 114.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.23 -151.81 6.39 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 117.538 0.669 . . . . 25.0 112.432 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.43 -61.63 0.52 Allowed Glycine 0 C--N 1.33 0.199 0 N-CA-C 117.203 1.641 . . . . 25.0 117.203 -172.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.0 -156.96 9.12 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 110.937 -0.865 . . . . 25.0 110.937 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -117.91 128.47 54.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 118.523 1.162 . . . . 25.0 111.824 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.03 -120.3 0.53 Allowed Glycine 0 N--CA 1.453 -0.217 0 N-CA-C 110.267 -1.133 . . . . 25.0 110.267 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -162.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.619 -0.882 . . . . 25.0 108.619 170.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER 84.4 143.87 0.06 Allowed 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 124.647 1.179 . . . . 25.0 110.848 -177.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' GLU . 35.4 t80 7.84 -83.37 0.0 OUTLIER 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.569 1.692 . . . . 25.0 115.569 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -162.24 154.78 19.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 164.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 69.88 -27.54 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 116.427 2.01 . . . . 25.0 116.427 173.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -97.68 -160.88 0.83 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.778 0.431 . . . . 25.0 110.154 178.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -129.93 148.02 51.74 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.875 0.87 . . . . 25.0 112.668 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.7 tp -102.11 -52.63 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.7 mt -139.0 -57.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.613 0.244 . . . . 25.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -97.42 105.31 17.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 25.0 109.814 -176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.216 -0.679 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -170.234 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.151 0 N-CA-C 112.233 -0.347 . . . . 25.0 112.233 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.53 -3.96 49.78 Favored Glycine 0 N--CA 1.453 -0.201 0 N-CA-C 115.416 0.927 . . . . 25.0 115.416 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.47 -146.97 10.15 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 117.216 0.508 . . . . 25.0 112.239 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.26 -98.97 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 115.013 0.765 . . . . 25.0 115.013 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.15 152.9 52.04 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.068 -0.666 . . . . 25.0 112.244 -177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.39 71.83 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 N-CA-C 114.938 0.735 . . . . 25.0 114.938 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.9 t80 79.7 -28.52 0.14 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 119.359 3.096 . . . . 25.0 119.359 164.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.65 97.11 0.05 Allowed 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 122.927 1.346 . . . . 25.0 113.433 -173.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.0 t80 70.31 -45.48 0.59 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 115.463 1.653 . . . . 25.0 115.463 165.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -128.15 -77.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.412 -0.959 . . . . 25.0 108.412 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -135.02 -6.1 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.78 169.89 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 -160.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.5 t -70.38 125.48 26.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.091 0.775 . . . . 25.0 113.091 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -96.35 -40.24 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 178.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 mt -132.81 142.7 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 111.737 0.273 . . . . 25.0 111.737 -170.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 62.18 24.9 14.87 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.587 1.155 . . . . 25.0 113.266 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.216 -0.7 0 O-C-N 121.506 -0.746 . . . . 25.0 112.354 -176.765 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.245 0 N-CA-C 115.466 0.946 . . . . 25.0 115.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.58 22.99 13.94 Favored Glycine 0 N--CA 1.452 -0.265 0 N-CA-C 115.626 1.01 . . . . 25.0 115.626 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.11 -49.24 3.94 Favored Glycine 0 N--CA 1.452 -0.274 0 N-CA-C 115.11 0.804 . . . . 25.0 115.11 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.5 -150.83 2.21 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 111.829 -0.508 . . . . 25.0 111.829 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.39 153.12 46.62 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.087 -0.655 . . . . 25.0 111.572 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.6 82.07 0.12 Allowed Glycine 0 N--CA 1.453 -0.203 0 CA-C-N 115.656 -0.702 . . . . 25.0 113.512 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 72.97 -126.17 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.201 1.0 . . . . 25.0 112.038 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.31 -156.02 0.34 Allowed 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.651 1.215 . . . . 25.0 112.75 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -65.71 -40.34 92.13 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -170.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -122.44 -71.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 15.46 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 25.0 111.099 170.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.22 176.75 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.891 -0.595 . . . . 25.0 111.104 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.3 t -69.55 120.85 15.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.482 0.549 . . . . 25.0 112.482 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 tp -101.21 -48.39 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.983 164.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mm -126.28 -49.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -97.8 39.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.339 1.066 . . . . 25.0 112.735 -158.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.215 -0.715 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.832 178.007 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.163 0 N-CA-C 116.291 1.276 . . . . 25.0 116.291 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.7 30.1 4.31 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 115.91 1.124 . . . . 25.0 115.91 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.96 -49.24 4.2 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 116.231 1.252 . . . . 25.0 116.231 175.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.0 -155.98 16.76 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 111.298 -0.721 . . . . 25.0 111.298 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -108.78 161.82 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 118.136 0.968 . . . . 25.0 112.724 -176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.56 -153.38 24.8 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.409 -0.424 . . . . 25.0 113.167 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -70.87 -38.95 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 115.253 1.575 . . . . 25.0 115.253 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.58 121.98 12.29 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-O 122.764 1.269 . . . . 25.0 113.005 -159.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.1 t80 61.3 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.827 1.418 . . . . 25.0 114.827 174.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -145.77 82.69 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt 60.2 29.61 19.16 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -108.1 166.1 10.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.942 0.877 . . . . 25.0 112.633 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.0 t -61.12 126.9 29.04 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.668 0.618 . . . . 25.0 112.668 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 tp -105.86 -53.19 2.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.626 169.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.2 mt -136.62 -53.28 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 176.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -101.84 85.68 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.295 1.045 . . . . 25.0 108.867 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.219 -0.508 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -167.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.118 0 N-CA-C 116.007 1.163 . . . . 25.0 116.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.84 34.23 0.04 OUTLIER Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.533 -0.334 . . . . 25.0 112.44 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.04 -164.16 28.9 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 110.019 -1.232 . . . . 25.0 110.019 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.39 -90.35 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 117.218 1.647 . . . . 25.0 117.218 -175.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -142.01 134.7 28.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.947 0.874 . . . . 25.0 112.367 -175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.32 -68.29 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.037 -0.602 . . . . 25.0 114.218 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 3.2 t80 -157.2 -107.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER 57.24 -97.15 0.07 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 124.672 1.189 . . . . 25.0 112.611 174.251 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -82.42 -39.09 23.11 Favored 'General case' 0 C--N 1.343 0.32 0 O-C-N 121.218 -0.926 . . . . 25.0 110.571 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 172.24 -44.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.413 1.485 . . . . 25.0 109.127 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.41 21.58 4.36 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 114.762 1.394 . . . . 25.0 114.762 -174.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -124.55 152.98 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 122.366 0.266 . . . . 25.0 111.431 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 m -61.82 143.49 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.226 -0.589 . . . . 25.0 110.83 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.1 tp -88.81 58.08 4.45 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.045 -1.094 . . . . 25.0 108.045 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER 58.75 179.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -171.248 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' H ' HG22 ' A' ' 15' ' ' ILE . 7.9 m-85 57.39 30.76 19.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.415 1.103 . . . . 25.0 111.376 174.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.217 -0.638 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.209 -171.65 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.153 0 N-CA-C 115.527 0.971 . . . . 25.0 115.527 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.88 65.84 0.3 Allowed Glycine 0 N--CA 1.453 -0.18 0 N-CA-C 110.148 -1.181 . . . . 25.0 110.148 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.99 -145.32 6.38 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 109.396 -1.482 . . . . 25.0 109.396 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.47 -110.02 0.03 OUTLIER Glycine 0 CA--C 1.518 0.229 0 CA-C-N 117.445 0.623 . . . . 25.0 112.974 178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -143.2 142.04 31.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 117.966 0.883 . . . . 25.0 111.96 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.43 -144.56 10.32 Favored Glycine 0 N--CA 1.453 -0.19 0 N-CA-C 110.738 -0.945 . . . . 25.0 110.738 -172.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -60.08 156.49 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.06 0.43 . . . . 25.0 111.079 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 107.88 90.5 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 127.43 2.292 . . . . 25.0 111.141 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.4 t80 60.19 -112.38 0.55 Allowed 'General case' 0 C--N 1.345 0.382 0 CA-C-N 114.156 -1.384 . . . . 25.0 108.106 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -145.97 19.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.539 0.608 . . . . 25.0 110.947 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -118.86 -60.21 1.78 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 -162.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -136.12 165.83 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.545 0.338 . . . . 25.0 110.455 -176.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 150.93 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.993 0.368 . . . . 25.0 111.993 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.8 tp -80.41 49.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.525 0.679 . . . . 25.0 111.532 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 mt 65.97 155.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 124.428 1.091 . . . . 25.0 108.736 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 55.63 44.33 26.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 122.27 1.034 . . . . 25.0 111.115 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.216 -0.692 0 O-C-N 121.518 -0.739 . . . . 25.0 111.936 -175.435 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.212 0 N-CA-C 114.102 0.401 . . . . 25.0 114.102 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.6 -144.37 4.08 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 117.25 0.525 . . . . 25.0 112.145 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.05 88.59 0.17 Allowed Glycine 0 CA--C 1.518 0.222 0 N-CA-C 112.045 -0.422 . . . . 25.0 112.045 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.0 -137.72 6.09 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 108.405 -1.878 . . . . 25.0 108.405 -173.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.16 148.86 30.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.333 1.067 . . . . 25.0 111.909 171.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.93 103.93 0.87 Allowed Glycine 0 CA--C 1.518 0.243 0 N-CA-C 114.742 0.657 . . . . 25.0 114.742 174.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 66.88 -148.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -175.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 73.02 -5.47 1.92 Allowed 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 122.649 1.214 . . . . 25.0 114.226 170.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.65 -159.79 0.31 Allowed 'General case' 0 C--N 1.345 0.397 0 N-CA-C 106.756 -1.572 . . . . 25.0 106.756 -173.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.7 t30 44.85 -110.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.05 0.54 . . . . 25.0 110.379 -177.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.58 40.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 173.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -123.97 -170.37 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 25.0 111.271 173.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 p -97.3 158.12 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.079 0.552 . . . . 25.0 112.063 176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.44 -50.13 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.786 176.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.13 -53.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.658 0.266 . . . . 25.0 111.548 -178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -93.96 66.2 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.659 1.218 . . . . 25.0 110.81 -173.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 C--O 1.216 -0.673 0 CA-C-N 115.253 -0.885 . . . . 25.0 112.81 -178.118 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.109 0 N-CA-C 115.079 0.792 . . . . 25.0 115.079 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.23 -36.41 0.25 Allowed Glycine 0 CA--C 1.517 0.196 0 C-N-CA 121.691 -0.29 . . . . 25.0 112.404 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.8 -136.46 3.26 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.683 -0.567 . . . . 25.0 111.683 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -109.5 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 115.678 1.031 . . . . 25.0 115.678 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -133.77 161.16 35.46 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -175.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.45 -43.95 0.67 Allowed Glycine 0 CA--C 1.518 0.262 0 N-CA-C 116.71 1.444 . . . . 25.0 116.71 172.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.445 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 2.3 t80 -164.25 -115.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.8 OUTLIER 60.1 -90.74 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 125.4 1.48 . . . . 25.0 112.772 176.266 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.15 -39.66 12.01 Favored 'General case' 0 C--N 1.342 0.253 0 O-C-N 121.344 -0.848 . . . . 25.0 109.992 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.15 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.783 1.233 . . . . 25.0 109.764 177.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -125.91 20.77 7.65 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -121.94 158.43 29.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.147 0.499 . . . . 25.0 111.431 -173.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.1 t -73.17 133.8 44.18 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.486 -0.759 . . . . 25.0 112.363 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tt -94.62 -53.41 3.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 25.0 111.74 174.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.62 -51.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -94.91 47.69 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.571 1.177 . . . . 25.0 111.722 -156.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.216 -0.664 0 CA-C-N 115.739 -0.664 . . . . 25.0 112.569 -168.428 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.177 0 N-CA-C 111.208 -0.757 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.2 -44.67 0.19 Allowed Glycine 0 C--O 1.229 -0.176 0 N-CA-C 117.229 1.652 . . . . 25.0 117.229 -176.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.77 93.07 0.46 Allowed Glycine 0 C--O 1.228 -0.244 0 CA-C-N 117.68 0.74 . . . . 25.0 114.217 -172.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.95 -154.69 17.75 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 117.326 0.563 . . . . 25.0 113.305 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.54 163.5 23.24 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 -172.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.62 -75.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.041 -0.981 . . . . 25.0 114.032 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -163.8 -29.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -169.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -51.87 123.18 9.68 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 122.884 1.326 . . . . 25.0 111.944 -172.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.3 t80 63.01 -51.59 0.19 Allowed 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.982 1.713 . . . . 25.0 113.99 -172.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.22 -60.7 0.25 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.364 0.666 . . . . 25.0 109.573 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -144.36 10.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -86.14 168.78 13.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 118.845 0.748 . . . . 25.0 112.01 -175.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.59 124.8 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.594 -0.691 . . . . 25.0 111.064 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.7 tp -95.4 -47.71 6.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.502 -0.317 . . . . 25.0 111.746 174.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.2 mt -144.96 -56.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 122.163 0.185 . . . . 25.0 111.384 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -98.18 76.9 2.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 122.23 1.014 . . . . 25.0 110.64 -173.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.218 -0.581 0 N-CA-C 112.805 0.669 . . . . 25.0 112.805 -171.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.211 0 N-CA-C 109.326 -1.51 . . . . 25.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.6 31.56 0.42 Allowed Glycine 0 CA--C 1.517 0.192 0 N-CA-C 117.518 1.767 . . . . 25.0 117.518 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.54 35.55 0.47 Allowed Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 117.39 0.595 . . . . 25.0 112.978 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.28 -168.58 32.58 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 110.943 -0.863 . . . . 25.0 110.943 -177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -119.43 168.14 11.25 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.56 -80.27 0.21 Allowed Glycine 0 CA--C 1.517 0.161 0 N-CA-C 115.624 1.01 . . . . 25.0 115.624 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -144.04 -107.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -174.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.51 -71.7 0.06 Allowed 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 125.462 1.505 . . . . 25.0 113.301 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -136.09 -63.18 0.65 Allowed 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.7 0.8 . . . . 25.0 108.878 177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -141.53 85.65 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.126 0.488 . . . . 25.0 110.52 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt 52.77 44.87 29.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.642 -0.708 . . . . 25.0 112.28 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -117.02 156.0 28.25 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -64.3 132.33 49.89 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.857 -0.737 . . . . 25.0 112.096 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -98.39 -40.41 8.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.797 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.4 mt -123.63 -48.28 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.432 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -89.75 78.85 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.322 1.058 . . . . 25.0 111.123 -174.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 82.7 m . . . . . 0 C--O 1.215 -0.712 0 CA-C-N 115.372 -0.831 . . . . 25.0 112.694 -179.808 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.239 0 CA-C-O 119.869 -0.406 . . . . 25.0 113.614 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.07 -33.46 4.87 Favored Glycine 0 C--N 1.331 0.256 0 N-CA-C 117.023 1.569 . . . . 25.0 117.023 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.4 79.55 0.09 OUTLIER Glycine 0 CA--C 1.517 0.198 0 CA-C-N 117.926 0.863 . . . . 25.0 113.737 -176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.41 -172.54 28.62 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 110.359 -1.096 . . . . 25.0 110.359 -177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -137.42 151.83 48.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.623 0.712 . . . . 25.0 111.772 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.81 83.58 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.578 -0.737 . . . . 25.0 112.482 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.468 ' HB3' ' H ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER 72.38 -118.71 0.07 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.276 1.03 . . . . 25.0 112.917 -179.139 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 57.3 -164.06 0.17 Allowed 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 123.151 1.453 . . . . 25.0 111.373 -177.284 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -69.4 -41.53 76.3 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.769 -1.207 . . . . 25.0 112.922 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -138.39 62.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.457 0.646 . . . . 25.0 111.798 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 60.19 14.04 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.367 1.067 . . . . 25.0 113.706 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -83.52 -172.05 3.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 p -75.7 107.72 8.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 116.223 1.934 . . . . 25.0 116.223 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.75 -38.25 62.27 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.872 -0.518 . . . . 25.0 111.132 163.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -121.18 -48.87 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 25.0 111.516 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -94.03 75.1 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.381 1.086 . . . . 25.0 110.642 -166.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.217 -0.654 0 N-CA-C 113.724 1.009 . . . . 25.0 113.724 -165.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.184 0 N-CA-C 115.714 1.046 . . . . 25.0 115.714 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.33 -138.54 3.16 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 117.946 0.873 . . . . 25.0 113.311 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.46 133.75 4.23 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 111.057 -0.817 . . . . 25.0 111.057 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.94 -145.27 15.89 Favored Glycine 0 N--CA 1.453 -0.196 0 N-CA-C 108.216 -1.954 . . . . 25.0 108.216 -170.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.09 148.99 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.336 1.068 . . . . 25.0 112.244 177.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.05 93.12 0.26 Allowed Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.916 -0.584 . . . . 25.0 112.617 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 70.36 -137.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.829 0.852 . . . . 25.0 110.461 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 68.43 -11.04 0.41 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.155 1.539 . . . . 25.0 115.155 172.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 61.38 -179.49 0.11 Allowed 'General case' 0 C--N 1.346 0.417 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -157.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.95 22.34 7.1 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 114.312 1.227 . . . . 25.0 114.312 174.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 54.73 25.47 6.55 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.94 0.896 . . . . 25.0 112.772 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.83 175.0 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 122.53 0.332 . . . . 25.0 111.473 -175.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.7 t -93.36 130.04 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.242 1.201 . . . . 25.0 114.242 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.2 tp -105.03 -41.86 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 169.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mm -127.86 116.68 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -167.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 53.2 52.88 12.78 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 122.899 1.333 . . . . 25.0 113.079 168.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.217 -0.63 0 CA-C-N 115.346 -0.843 . . . . 25.0 112.914 -177.737 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.133 0 N-CA-C 117.733 1.853 . . . . 25.0 117.733 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.32 -134.99 1.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 112.066 -0.414 . . . . 25.0 112.066 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -124.78 59.94 0.63 Allowed Glycine 0 N--CA 1.454 -0.145 0 N-CA-C 114.915 0.726 . . . . 25.0 114.915 -173.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.63 -145.31 12.35 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-O 119.313 -0.715 . . . . 25.0 111.609 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -120.91 158.65 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.883 0.841 . . . . 25.0 112.949 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.93 -83.0 0.17 Allowed Glycine 0 CA--C 1.517 0.209 0 N-CA-C 115.897 1.119 . . . . 25.0 115.897 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -154.47 -30.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 115.579 1.696 . . . . 25.0 115.579 -166.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.58 113.23 0.66 Allowed 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 122.614 1.197 . . . . 25.0 111.995 -174.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 66.93 -48.63 0.47 Allowed 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.379 1.472 . . . . 25.0 113.147 -175.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -139.55 -67.99 0.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.894 0.478 . . . . 25.0 110.121 170.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -147.02 35.74 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.403 1.26 . . . . 25.0 114.403 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -105.34 167.72 9.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.951 0.722 . . . . 25.0 112.951 175.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -61.05 117.28 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.643 -0.661 . . . . 25.0 110.655 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -86.58 57.74 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.4 mt 70.92 -50.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 125.549 1.54 . . . . 25.0 111.631 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -99.46 12.65 35.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.164 0.983 . . . . 25.0 111.673 -171.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.0 m . . . . . 0 C--O 1.216 -0.674 0 CA-C-O 118.28 -0.867 . . . . 25.0 112.335 -179.112 . . . . . . . . 0 0 . 1 stop_ save_