data_2aqa_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2aqa _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.1 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 75.3 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -165.03 141.11 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.879 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.8 p -90.68 138.84 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.25 111.147 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 mt -91.98 160.27 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.927 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.41 -174.95 35.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 72.44 112.529 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.82 33.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 75.35 112.353 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.5 -22.04 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.831 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.66 17.44 5.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 34.44 112.476 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -82.83 131.05 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 73.44 110.985 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -74.89 145.06 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.895 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.8 mt -143.83 108.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.35 111.139 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.927 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.815 0.34 . . . . 72.21 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -164.75 131.61 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.7 p -83.42 142.35 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.145 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.6 mt -93.86 167.08 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.919 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.49 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 72.5 112.475 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.54 35.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 74.32 112.343 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.48 -23.88 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 60.13 110.923 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.54 17.6 4.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 74.25 112.525 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -80.19 117.53 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 74.31 110.87 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 148.66 28.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.88 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -147.79 110.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 74.55 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.928 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 74.14 110.919 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -155.22 123.89 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.933 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 p -81.48 147.3 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 72.32 111.159 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.7 mt -97.79 160.52 14.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 73.13 110.983 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.95 -174.59 37.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.495 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -15.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 71.34 112.301 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -109.01 -21.52 12.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.845 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.73 17.4 4.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 72.43 112.505 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.59 125.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 74.31 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -73.38 146.45 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 74.11 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.72 99.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 75.32 111.066 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.883 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.787 0.327 . . . . 71.01 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -165.2 129.24 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.987 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -81.55 155.62 25.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 73.22 111.203 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.9 mt -103.67 155.94 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.926 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.97 -179.37 37.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 52.25 112.449 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 74.24 112.385 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -105.61 -20.54 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 65.22 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.46 3.82 23.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 73.24 112.451 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -76.15 164.35 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.332 . . . . 75.43 110.897 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.54 144.49 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.842 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.2 mt -144.02 102.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 74.14 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.937 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 74.14 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -165.19 133.83 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.949 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.1 p -79.82 164.57 23.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 75.31 111.192 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.1 mt -111.83 153.16 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.928 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.28 -165.28 35.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.409 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 74.31 112.342 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.06 24.55 12.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.854 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.18 32.37 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.04 112.512 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -88.66 111.04 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 65.3 110.9 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 145.81 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.956 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -145.81 103.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.42 111.141 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.918 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.831 0.348 . . . . 74.31 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -162.23 124.93 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.924 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.9 p -80.58 139.31 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 73.34 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 mt -95.93 161.86 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.01 110.895 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.74 -168.56 25.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 50.33 112.48 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.51 27.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 73.03 112.338 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -108.91 24.16 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.2 30.71 64.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.681 -0.771 . . . . 34.32 112.496 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -85.02 117.93 24.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 75.33 110.929 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 mtm-85 -70.49 144.64 51.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.11 110.922 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -144.43 105.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.189 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.885 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.803 0.335 . . . . 73.35 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -159.79 127.12 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 73.24 110.914 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -84.5 138.66 32.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 72.32 111.14 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.62 162.02 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.896 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.42 -171.35 33.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 72.43 112.475 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -17.21 37.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.232 . . . . 74.52 112.365 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.0 -22.06 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.93 16.21 4.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 74.21 112.518 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -76.64 117.48 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 75.32 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -64.51 147.14 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.912 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -146.93 107.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.04 111.129 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.93 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.691 0.282 . . . . 73.13 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -165.15 129.71 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.3 p -86.33 149.25 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 74.21 111.108 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 mt -99.56 152.15 20.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 73.31 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.77 179.74 40.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 72.14 112.473 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -8.56 23.91 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.667 2.245 . . . . 75.21 112.318 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -101.67 -19.88 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.818 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.5 3.34 29.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 71.44 112.468 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -78.34 162.54 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 74.01 110.845 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.66 38.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.901 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -143.0 103.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.44 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.94 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.81 0.338 . . . . 72.43 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -165.0 133.89 3.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.956 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 p -85.05 161.19 19.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 73.42 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.3 mt -107.79 164.24 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.977 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.02 -168.34 28.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.687 -0.768 . . . . 72.35 112.494 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -21.39 33.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.739 2.293 . . . . 74.33 112.308 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.91 -20.63 13.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.827 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.17 15.78 4.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.85 -0.691 . . . . 64.43 112.524 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.85 129.6 35.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 74.21 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -71.6 148.92 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.0 mt -148.84 103.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.41 111.163 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.957 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.763 0.316 . . . . 70.33 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -162.62 123.51 2.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 71.45 110.958 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -79.16 150.05 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 70.42 111.188 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.5 mt -103.88 164.43 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 75.45 110.912 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.98 -171.9 31.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 53.14 112.497 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.93 36.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 73.01 112.336 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.11 -18.82 13.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.835 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.07 16.26 4.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 72.45 112.534 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -72.01 117.74 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 73.25 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -72.26 145.26 48.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.919 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.65 110.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.418 . . . . 74.34 111.094 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.924 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.804 0.335 . . . . 72.13 110.816 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -165.07 128.71 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 72.31 110.959 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.2 p -85.22 141.52 30.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.45 111.137 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.9 mt -91.98 151.75 20.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.92 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.75 -179.66 43.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 72.55 112.486 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -8.52 23.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 74.34 112.292 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -104.22 -20.72 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 74.32 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.14 2.87 24.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 71.12 112.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.15 160.23 30.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.75 0.309 . . . . 74.34 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.26 145.81 38.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.909 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -140.96 88.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.14 111.14 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.51 110.9 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.36 . . . . 74.04 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -165.03 139.27 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -90.67 142.4 27.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 74.1 111.148 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt -91.18 154.47 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 64.22 110.929 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.64 -178.95 38.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 75.33 112.456 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.36 23.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 54.32 112.357 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -104.76 -20.41 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 70.22 110.848 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.39 2.85 26.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.2 112.451 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -76.49 164.28 26.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 72.13 110.89 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 141.32 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.855 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.51 115.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.116 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 75.55 110.93 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 72.22 110.838 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 13' ' ' ARG . 34.0 p90 -157.53 136.1 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.962 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 p -91.17 162.09 14.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 64.23 111.117 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.39 158.04 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.965 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.83 179.48 30.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 73.13 112.454 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 73.31 112.374 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -104.64 -18.51 14.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 62.11 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.43 3.29 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 74.32 112.491 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -88.21 131.19 34.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 74.54 110.895 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 13.9 ptt85 -80.33 161.62 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.94 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -151.28 122.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.45 111.146 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 70.22 110.879 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.832 0.348 . . . . 62.2 110.925 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -164.87 129.36 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.944 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -83.67 160.11 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.134 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.29 157.29 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.961 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.32 179.53 33.52 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 71.31 112.463 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -8.4 23.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 75.41 112.334 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -101.56 -21.87 14.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.53 110.848 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.84 4.36 24.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 73.04 112.524 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 164.06 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 74.45 110.883 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 146.31 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -144.0 106.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 72.45 111.206 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.875 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.9 ttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.791 0.329 . . . . 71.43 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -165.32 147.74 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.944 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -96.28 138.85 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.01 111.173 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.5 157.94 20.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.24 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.82 -175.02 36.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 71.2 112.477 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -14.36 36.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 75.35 112.354 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.16 -24.6 14.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 73.41 110.916 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.81 17.65 6.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 74.52 112.479 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -90.89 143.3 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 71.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -79.6 144.32 33.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 64.3 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -142.42 98.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.158 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.877 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.0 mmt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.721 0.296 . . . . 74.35 110.816 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -161.79 123.33 2.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.28 -0.418 . . . . 71.33 110.956 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -80.39 156.73 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 74.52 111.144 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -107.53 163.84 12.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 63.42 110.944 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.9 -176.47 32.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 71.33 112.536 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -14.19 35.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 75.52 112.334 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -108.71 -20.2 13.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.863 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.2 13.52 6.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 71.42 112.469 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.3 129.6 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 75.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -79.48 148.18 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.6 mt -144.48 122.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 75.34 111.108 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.925 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.6 mtm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.835 0.35 . . . . 72.34 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -165.12 128.83 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.938 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.0 p -80.69 143.06 33.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 63.14 111.124 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.1 mt -103.33 144.81 30.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 75.23 110.893 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.4 -165.65 41.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 70.33 112.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.97 24.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.582 2.188 . . . . 62.24 112.425 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -109.06 23.62 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 53.24 110.888 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.57 19.46 71.07 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.691 -0.766 . . . . 75.11 112.511 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -67.32 107.61 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 72.01 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -71.47 144.18 49.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.872 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -145.75 109.29 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.894 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.73 0.3 . . . . 71.24 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -165.07 133.13 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 75.12 110.898 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -80.67 160.59 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 72.42 111.112 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.8 mt -118.25 152.96 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -165.14 32.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 55.21 112.501 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -30.49 21.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.575 2.183 . . . . 73.32 112.347 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -109.11 24.06 13.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.03 110.849 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.09 20.4 67.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 74.55 112.482 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.53 108.7 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 75.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -72.06 144.79 48.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.14 110.859 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.2 mt -145.25 106.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.13 111.156 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.862 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 ptm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.807 0.337 . . . . 75.01 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -165.04 134.57 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 74.33 110.886 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -79.76 164.47 23.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 64.4 111.133 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.4 mt -112.23 152.48 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.55 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.52 -165.25 36.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.709 . . . . 71.31 112.462 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.6 16.04 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.635 2.223 . . . . 75.43 112.326 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.1 24.33 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.68 31.38 50.01 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.717 -0.754 . . . . 71.13 112.404 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -87.61 111.51 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 75.05 110.858 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.85 144.53 48.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 71.44 110.861 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -146.91 106.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.3 111.102 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.908 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.839 0.352 . . . . 73.04 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -164.44 124.53 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.965 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 p -82.18 139.58 34.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 73.23 111.182 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.3 mt -93.77 164.9 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.877 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.86 -177.93 29.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.711 . . . . 73.55 112.54 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -10.31 28.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 72.2 112.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -108.65 -21.52 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.2 110.929 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.6 16.53 6.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 61.33 112.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.93 137.2 33.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 75.24 110.918 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -78.34 145.2 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.909 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.7 mt -143.23 104.24 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.911 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 p80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.844 0.354 . . . . 72.22 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt -70.66 143.31 51.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.881 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.1 mtt -104.38 25.63 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 75.3 110.883 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -165.03 141.11 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.879 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.8 p -90.68 138.84 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.25 111.147 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 mt -91.98 160.27 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.927 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.41 -174.95 35.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 72.44 112.529 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.82 33.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 75.35 112.353 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.5 -22.04 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.831 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.66 17.44 5.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 34.44 112.476 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -82.83 131.05 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 73.44 110.985 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -74.89 145.06 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.895 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.8 mt -143.83 108.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.35 111.139 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -61.33 95.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.927 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.6 p -138.0 51.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.52 111.125 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.68 -46.18 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.925 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 55.27 35.34 24.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.885 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -59.98 -46.43 89.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.897 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.84 142.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 70.12 111.07 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -55.77 -73.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.1 111.172 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.61 149.05 24.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.871 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 m -132.09 75.06 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 62.21 110.869 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.08 149.51 21.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 75.53 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -77.99 118.52 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 74.02 110.871 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.0 mt -70.34 121.43 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 75.32 111.162 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.4 p -69.65 151.33 46.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 64.32 111.139 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -70.94 138.61 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.951 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.8 p -90.52 175.06 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.03 110.8 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 55.27 47.66 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.53 111.069 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.71 160.54 76.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 72.12 110.835 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 102.77 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 73.34 112.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.02 153.96 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.13 111.066 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -51.98 138.35 24.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.872 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -90.14 116.36 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 63.53 110.886 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 t -168.52 68.53 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.649 0.738 . . . . 75.13 110.854 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.62 14.2 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.714 2.276 . . . . 74.15 112.362 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -133.63 -179.72 5.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.873 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -84.99 -22.72 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.894 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -13.84 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.89 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -51.48 -30.51 20.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.926 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 p -69.38 129.68 40.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 73.12 110.875 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -68.45 -26.34 65.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 71.2 110.82 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -42.53 94.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.885 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -60.21 -32.64 71.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.91 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.5 t -76.29 -40.91 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 64.42 111.162 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -57.6 133.44 55.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 73.42 111.114 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.91 175.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.944 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.45 120.4 7.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.931 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -102.67 26.78 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 74.41 110.887 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -97.19 -27.7 14.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 52.16 45.95 27.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.27 60.23 4.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 74.1 112.454 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.3 mt -81.85 166.48 19.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 73.13 110.929 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.3 t -135.46 71.97 65.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.592 0.711 . . . . 74.33 111.101 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 140.85 43.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.237 . . . . 70.55 112.331 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.15 -136.42 3.41 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.734 -0.745 . . . . 60.42 112.49 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 74.21 110.889 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.788 0.328 . . . . 73.44 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -75.28 122.71 24.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.954 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 tpp -119.99 28.85 7.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 72.21 110.861 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -164.75 131.61 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.7 p -83.42 142.35 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.145 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.6 mt -93.86 167.08 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.919 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.49 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 72.5 112.475 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.54 35.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 74.32 112.343 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.48 -23.88 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 60.13 110.923 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.54 17.6 4.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 74.25 112.525 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -80.19 117.53 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 74.31 110.87 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 148.66 28.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.88 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -147.79 110.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 74.55 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -69.85 84.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.928 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -146.41 32.53 0.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 72.51 111.162 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -49.77 61.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.942 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -51.74 143.13 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 65.54 110.933 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt 63.56 47.33 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 73.22 110.941 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.4 t -143.13 144.23 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.22 111.14 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -124.67 160.37 28.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.133 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -98.86 27.11 5.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 70.1 110.92 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t 52.58 32.6 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.855 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 19.68 21.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 72.35 112.515 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -75.0 -41.72 58.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 62.12 110.935 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -87.19 132.72 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 74.34 111.134 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 p -120.32 174.32 6.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 73.34 111.104 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 175.31 5.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.943 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -90.21 154.85 19.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 65.33 110.814 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.97 160.92 26.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 63.52 111.158 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.7 m80 58.0 73.29 0.76 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 73.33 110.88 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.82 6.25 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 74.5 112.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.06 173.57 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 72.3 111.119 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -172.39 170.66 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 65.41 110.881 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -59.33 113.86 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.87 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.9 p -177.67 70.7 0.22 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.739 0.78 . . . . 72.43 110.826 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -46.16 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 75.41 112.36 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -158.49 173.74 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 63.44 110.786 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -85.11 -22.75 28.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.839 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -86.23 5.57 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -55.87 -25.48 42.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.44 110.888 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -51.89 168.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.844 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -77.93 -16.77 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -51.71 -29.95 20.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.902 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -54.69 -29.77 53.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.907 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.23 -42.92 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 74.53 111.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.37 103.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 74.02 111.111 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.9 mt -56.04 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.885 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 tttp 50.23 37.4 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.851 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -26.81 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.938 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 164.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 70.22 110.936 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -118.38 115.19 24.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.855 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.25 94.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 62.15 112.466 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -118.51 141.08 48.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 64.34 110.98 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -139.54 70.1 38.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.701 0.762 . . . . 75.53 111.182 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.88 37.77 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.726 2.284 . . . . 74.43 112.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.51 -98.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 75.31 112.513 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 75.15 110.885 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.895 0.379 . . . . 74.5 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.92 144.17 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.963 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.9 21.73 16.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 74.14 110.919 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -155.22 123.89 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.933 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 p -81.48 147.3 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 72.32 111.159 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.7 mt -97.79 160.52 14.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 73.13 110.983 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.95 -174.59 37.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.495 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -15.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 71.34 112.301 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -109.01 -21.52 12.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.845 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.73 17.4 4.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 72.43 112.505 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.59 125.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 74.31 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -73.38 146.45 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 74.11 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.72 99.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 75.32 111.066 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.13 102.39 4.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.883 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 p -137.45 9.92 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.42 111.097 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.23 43.77 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.915 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.72 -67.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.1 110.917 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -59.59 174.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 74.43 110.891 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -107.75 149.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 70.32 111.114 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -115.93 173.7 6.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.52 111.18 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -88.98 138.27 31.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.845 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -83.13 -48.33 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.879 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.5 -69.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.427 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -71.87 158.64 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 74.33 110.905 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 tt -109.65 145.82 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.121 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.8 p -107.91 125.52 51.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.123 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -107.33 -26.25 11.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.903 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -96.38 34.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.838 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.06 136.5 52.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 74.41 111.051 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 58.75 72.5 0.83 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.596 0.712 . . . . 74.35 110.855 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.45 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 73.32 112.319 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.38 72.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.41 111.04 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.53 175.37 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 73.13 110.817 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -154.01 139.65 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 75.42 110.922 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -69.06 160.5 78.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.621 0.724 . . . . 74.22 110.865 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -40.14 5.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 75.41 112.37 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -80.92 110.55 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.88 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.04 -22.78 28.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -6.23 49.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.93 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -51.82 -30.21 22.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.955 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -71.18 -46.35 61.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 74.04 110.855 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -84.28 3.08 37.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 74.12 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -52.26 -34.38 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -58.18 3.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.87 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 m -57.71 -28.88 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.32 111.103 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.7 m -61.9 -42.61 99.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 73.34 111.102 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -154.74 123.53 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 71.22 111.001 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -95.36 130.73 42.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.864 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -31.49 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -52.05 -50.64 61.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.867 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.28 -32.3 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.915 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.7 -74.47 2.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 54.54 112.498 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.66 179.83 4.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.849 0.356 . . . . 74.41 110.945 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.67 71.7 3.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.643 0.735 . . . . 72.55 111.164 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 148.95 66.41 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.681 2.254 . . . . 73.32 112.405 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.43 -66.25 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 74.1 112.408 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 62.44 110.903 -179.837 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.74 0.305 . . . . 74.3 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 mp -76.23 143.36 41.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.284 -0.416 . . . . 65.24 110.957 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.33 26.29 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.01 110.842 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -165.2 129.24 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.987 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -81.55 155.62 25.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 73.22 111.203 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.9 mt -103.67 155.94 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.926 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.97 -179.37 37.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 52.25 112.449 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 74.24 112.385 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -105.61 -20.54 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 65.22 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.46 3.82 23.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 73.24 112.451 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -76.15 164.35 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.332 . . . . 75.43 110.897 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.54 144.49 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.842 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.2 mt -144.02 102.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 74.14 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.04 109.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 t -152.42 28.54 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 74.41 111.062 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.37 -31.28 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.88 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -66.48 102.22 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.905 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 139.14 25.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.914 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.73 136.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 75.2 111.115 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.3 m -83.96 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 72.23 111.164 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -68.48 124.36 23.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.845 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -92.63 -31.51 15.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 73.31 110.847 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.15 -75.45 0.29 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 54.54 112.511 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -141.81 157.25 45.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.855 0.36 . . . . 74.22 110.868 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.4 mt -119.99 132.96 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 70.13 111.116 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -112.24 157.87 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 75.44 111.21 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -141.34 165.88 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 m -110.38 159.01 17.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 73.32 110.902 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.4 158.41 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 71.43 111.046 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -171.68 71.45 0.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 74.13 110.905 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -21.73 32.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.281 . . . . 71.54 112.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.91 117.24 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 64.1 111.11 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -176.55 131.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.877 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -89.23 -55.11 3.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.847 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -173.22 72.42 0.39 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.677 0.751 . . . . 72.04 110.817 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -47.81 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 73.42 112.361 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 64.21 15.33 9.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 74.14 110.858 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.23 -22.89 60.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.827 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -1.8 41.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.86 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -51.91 -29.87 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.11 110.9 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -95.33 152.75 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.895 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -83.99 -25.2 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 75.13 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -52.0 -30.27 24.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.838 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 ttt-85 -52.11 -30.26 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.883 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.75 -41.27 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.01 115.35 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 73.42 111.098 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.43 117.17 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.917 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -64.06 118.79 9.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -79.81 -26.14 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.956 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -52.12 -63.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.876 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -56.49 104.86 0.16 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 75.44 110.81 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.65 27.72 1.92 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 61.54 112.514 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.64 150.27 20.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 75.01 110.943 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.37 71.25 67.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.646 0.736 . . . . 74.35 111.079 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -20.81 34.04 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.683 2.255 . . . . 75.03 112.294 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.08 -91.8 0.67 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 62.34 112.44 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 73.5 110.923 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 71.42 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.35 144.89 25.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 73.23 110.941 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -99.53 26.07 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.918 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -165.19 133.83 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.949 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.1 p -79.82 164.57 23.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 75.31 111.192 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.1 mt -111.83 153.16 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.928 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.28 -165.28 35.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.742 -0.742 . . . . 63.21 112.409 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 74.31 112.342 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.06 24.55 12.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.854 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.18 32.37 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.04 112.512 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -88.66 111.04 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 65.3 110.9 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 145.81 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.956 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -145.81 103.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.42 111.141 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -58.37 105.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -149.96 25.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 75.04 111.116 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -51.7 138.5 23.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 73.25 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -57.62 -32.95 67.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.88 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -60.13 135.94 57.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 63.22 110.947 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 p -126.61 135.06 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 74.44 111.037 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -58.33 -37.69 75.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 75.42 111.106 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -62.21 151.99 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.837 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.6 m -75.66 -40.99 55.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.83 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.58 -67.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 74.1 112.517 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.14 117.55 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 75.2 110.898 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.2 tt -90.03 -32.55 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.075 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 t -139.88 131.27 26.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 75.41 111.138 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -99.01 126.22 44.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.888 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.87 26.57 9.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.95 149.77 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 64.21 111.099 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.0 m170 64.51 153.78 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 75.33 110.83 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.5 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 71.45 112.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.46 144.89 29.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.07 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -53.85 111.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.13 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -56.63 163.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.88 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -79.48 160.61 69.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 64.43 110.907 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -25.52 28.16 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.75 2.3 . . . . 53.25 112.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -96.49 12.55 31.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.814 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -85.13 -22.63 28.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.857 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -17.95 59.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.915 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -52.05 -30.26 24.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.869 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 71.4 p -104.11 -27.92 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 72.35 110.855 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -52.09 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.853 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -51.97 -30.25 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 74.42 110.85 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -53.12 -54.38 36.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.869 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -77.07 -29.86 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 75.12 111.082 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 m -60.37 122.51 14.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.186 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.37 126.52 27.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 74.14 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -25.47 20.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.868 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm 52.1 29.91 6.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 74.21 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 51.21 32.43 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.927 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.65 -24.57 67.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 72.04 110.928 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.13 61.86 3.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 72.51 112.481 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.17 26.44 8.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.347 . . . . 73.51 110.898 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.7 t 52.03 68.31 3.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 75.22 111.113 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -25.36 28.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.599 2.199 . . . . 74.41 112.376 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.89 94.5 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 72.21 112.453 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 74.14 110.857 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.0 m80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.818 0.342 . . . . 72.15 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.25 171.98 10.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.953 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 ptp -105.41 21.72 16.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.871 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -162.23 124.93 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.924 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.9 p -80.58 139.31 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 73.34 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.6 mt -95.93 161.86 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.01 110.895 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.74 -168.56 25.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 50.33 112.48 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.51 27.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 73.03 112.338 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -108.91 24.16 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.2 30.71 64.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.681 -0.771 . . . . 34.32 112.496 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -85.02 117.93 24.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 75.33 110.929 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 mtm-85 -70.49 144.64 51.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.11 110.922 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -144.43 105.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.189 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.36 100.51 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.885 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -130.34 26.42 5.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 70.14 111.112 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.16 -25.89 48.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 73.55 110.968 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.22 33.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.5 110.911 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -52.08 -30.5 26.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 64.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 p -127.39 150.05 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 65.13 111.14 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -98.96 176.27 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 71.55 111.099 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.94 161.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.937 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -115.48 77.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.865 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.01 118.13 4.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 71.41 112.469 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -115.15 168.41 9.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 73.33 110.863 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -133.1 145.92 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.148 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -137.47 163.24 31.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 73.33 111.181 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -86.69 176.65 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 73.25 110.904 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -153.31 154.32 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 72.1 110.868 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.86 152.5 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.23 111.152 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -163.4 68.47 1.74 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.614 0.721 . . . . 74.54 110.787 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 175.0 8.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 73.05 112.346 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.83 129.13 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 71.42 111.11 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.95 176.83 10.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -98.85 147.34 25.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 64.32 110.836 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -62.84 160.53 36.27 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 62.33 110.88 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -24.58 29.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 61.3 112.334 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -92.93 13.0 21.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.855 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -85.03 -22.81 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.922 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -77.36 -4.38 44.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.889 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -51.78 -30.34 22.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.864 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.3 p -159.88 112.81 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 65.32 110.869 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -83.95 -27.12 28.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 75.02 110.885 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -55.14 -26.52 39.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -51.96 -31.45 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.25 110.856 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.35 -30.38 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.091 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 m -60.79 143.41 54.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 63.21 111.192 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.38 156.02 16.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 72.21 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.75 -74.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 73.34 110.887 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.44 133.8 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.865 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -113.04 134.94 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 75.51 110.905 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -116.83 -30.81 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.918 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.63 -73.71 1.62 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.823 -0.703 . . . . 73.33 112.427 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.9 tp -120.27 108.93 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 75.42 110.92 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 m -50.94 156.38 1.71 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.613 0.72 . . . . 75.22 111.103 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 160.26 50.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.577 2.185 . . . . 75.22 112.38 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.33 -67.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.694 -0.765 . . . . 74.35 112.458 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 74.31 110.861 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 74.42 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mp -79.26 148.29 32.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.911 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.46 21.55 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.869 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -159.79 127.12 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 73.24 110.914 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -84.5 138.66 32.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 72.32 111.14 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.62 162.02 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.896 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.42 -171.35 33.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 72.43 112.475 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -17.21 37.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.232 . . . . 74.52 112.365 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.0 -22.06 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.93 16.21 4.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 74.21 112.518 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -76.64 117.48 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 75.32 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -64.51 147.14 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.912 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -146.93 107.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.04 111.129 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -57.53 99.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.93 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -128.96 25.61 5.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.484 . . . . 74.43 111.115 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.9 tp -57.36 -24.06 52.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.04 110.9 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -52.04 -29.12 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.923 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -63.56 152.66 38.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.947 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.8 t -93.2 134.22 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.51 111.143 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -69.83 112.17 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 75.33 111.223 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -87.85 113.86 23.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 65.15 110.918 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.36 -29.72 15.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.843 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.0 -164.43 24.15 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.722 -0.751 . . . . 74.12 112.52 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.81 122.72 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 62.24 110.863 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -97.15 145.26 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.22 111.139 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.6 p -86.92 162.34 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.154 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.44 172.41 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 74.1 110.951 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -112.76 155.27 24.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 63.01 110.827 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.68 151.79 51.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.099 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.75 160.56 80.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.646 0.736 . . . . 75.41 110.868 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -172.01 0.54 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.625 2.216 . . . . 71.24 112.332 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.15 114.41 12.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 70.45 111.154 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -53.23 131.48 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.851 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -144.15 133.95 23.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.856 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 t -165.87 73.05 1.29 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.669 0.747 . . . . 74.35 110.917 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -43.11 2.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.765 2.31 . . . . 72.31 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.25 102.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.8 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -85.94 -57.37 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.858 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.3 -77.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.94 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -105.87 -45.05 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.92 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 p -154.59 -169.43 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 74.11 110.857 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -28.62 64.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.882 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -51.86 -35.42 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.934 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -35.42 77.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.808 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -59.26 -40.77 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 72.2 111.103 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.45 155.87 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.1 111.156 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -55.47 146.0 21.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.887 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -113.62 29.12 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 72.54 110.876 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -73.46 115.17 12.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.905 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -140.88 161.69 37.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 75.4 110.894 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 57.49 42.01 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.34 110.843 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.91 58.24 4.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 75.14 112.543 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.81 -30.95 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 63.32 110.903 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.2 t 61.43 69.44 1.03 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 73.43 111.173 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 115.5 4.14 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.684 2.256 . . . . 54.33 112.314 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.82 -125.95 2.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 72.02 112.487 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 73.42 110.893 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.848 0.356 . . . . 73.1 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mt -117.01 161.57 19.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 70.22 110.941 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.9 mmt -105.04 24.1 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.834 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -165.15 129.71 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.3 p -86.33 149.25 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 74.21 111.108 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 mt -99.56 152.15 20.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 73.31 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.77 179.74 40.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 72.14 112.473 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -8.56 23.91 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.667 2.245 . . . . 75.21 112.318 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -101.67 -19.88 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.818 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.5 3.34 29.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 71.44 112.468 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -78.34 162.54 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 74.01 110.845 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.66 38.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.901 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -143.0 103.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.44 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -51.61 107.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.94 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -138.2 28.76 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 74.14 111.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.04 115.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -53.62 105.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.896 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -55.89 132.2 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.823 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.1 p -139.01 145.43 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.44 111.189 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -125.26 160.39 29.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.145 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -63.63 127.65 32.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 72.33 110.923 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -66.56 -48.16 70.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.887 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.18 42.98 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 61.32 112.445 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -100.66 119.14 38.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.815 0.341 . . . . 74.15 110.911 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -110.39 145.96 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.33 111.176 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.8 p -124.04 131.82 53.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.33 111.131 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -90.45 128.55 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.408 . . . . 75.41 110.915 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -95.42 109.08 21.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.868 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.16 156.08 48.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.088 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -113.72 157.35 41.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 74.44 110.849 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 161.28 46.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 74.2 112.307 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -162.1 -178.22 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 62.13 111.142 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -175.49 147.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 73.34 110.882 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -155.11 145.7 22.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 74.3 110.875 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.31 160.37 57.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.715 0.769 . . . . 75.4 110.839 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -46.93 1.05 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.755 2.304 . . . . 64.5 112.362 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -146.07 167.53 23.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.887 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.02 -22.85 28.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.875 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -77.87 -4.85 48.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.929 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -51.86 -30.19 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 64.34 110.952 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -51.85 128.7 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 73.43 110.924 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -83.42 -12.97 55.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 73.24 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.6 -24.33 46.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.889 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -26.83 31.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.881 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.39 -39.34 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.04 111.106 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.1 t -51.51 169.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.192 -0.458 . . . . 73.51 111.175 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt 57.29 38.22 28.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.936 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -87.0 173.33 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 72.55 110.879 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 106.95 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.53 110.919 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -151.4 143.87 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.3 110.873 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -124.19 108.35 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.81 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.77 32.18 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.449 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 tt -77.4 -26.52 51.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 73.24 110.896 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 t 62.2 71.22 0.74 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.568 0.699 . . . . 75.3 111.118 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.83 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 73.43 112.389 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.51 -142.03 4.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 74.42 112.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 73.42 110.897 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.898 0.38 . . . . 75.05 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.77 165.01 18.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.963 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.3 mmt -101.49 26.06 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.901 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -165.0 133.89 3.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.956 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 p -85.05 161.19 19.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 73.42 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.3 mt -107.79 164.24 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.977 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.02 -168.34 28.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.687 -0.768 . . . . 72.35 112.494 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -21.39 33.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.739 2.293 . . . . 74.33 112.308 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.91 -20.63 13.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.827 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.17 15.78 4.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.85 -0.691 . . . . 64.43 112.524 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.85 129.6 35.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 74.21 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -71.6 148.92 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.0 mt -148.84 103.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.41 111.163 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -51.43 103.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.957 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.8 p -136.7 22.27 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 74.52 111.098 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -51.53 -39.59 58.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 65.11 110.914 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -58.89 134.01 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.904 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -60.02 128.62 37.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 73.23 110.969 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.92 144.24 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 74.32 111.176 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -127.61 162.3 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.118 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -102.6 24.44 10.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 52.74 29.19 7.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.857 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.13 40.31 95.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.712 . . . . 72.43 112.447 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.84 140.86 29.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 75.24 110.857 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -52.95 142.15 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 75.22 111.128 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -86.35 135.4 33.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.4 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 -25.91 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 62.02 110.868 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -100.29 27.28 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.817 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.95 -65.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 73.21 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -51.7 156.8 2.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 73.42 110.886 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 72.33 112.314 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.78 122.21 42.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 72.14 111.067 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -165.86 126.98 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -57.29 -57.55 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.866 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.82 160.31 1.05 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.653 0.739 . . . . 74.0 110.887 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -43.91 2.44 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.651 2.234 . . . . 74.34 112.352 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.28 140.09 52.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.853 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -84.26 -22.98 30.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 75.2 110.811 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -82.14 0.5 40.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -51.86 -31.58 28.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 74.22 110.858 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -73.36 108.46 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 64.45 110.817 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -74.36 -27.04 60.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.45 -26.07 68.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -53.63 -30.11 41.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.2 t -74.38 -45.36 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.11 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.6 133.4 54.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.076 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.43 133.12 55.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.922 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -79.62 134.04 36.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.914 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -120.14 108.31 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.915 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -113.16 -33.25 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.63 116.23 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.877 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.51 23.17 2.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 64.03 112.436 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.04 148.05 41.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 73.2 110.945 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.04 70.44 63.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 74.35 111.116 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -20.19 35.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 75.41 112.278 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.52 73.41 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 51.23 112.512 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 72.03 110.957 -179.894 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 74.33 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -81.02 57.36 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.95 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.7 mtt -95.72 33.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 70.33 110.898 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -162.62 123.51 2.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 71.45 110.958 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -79.16 150.05 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 70.42 111.188 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.5 mt -103.88 164.43 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 75.45 110.912 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.98 -171.9 31.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 53.14 112.497 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.93 36.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 73.01 112.336 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.11 -18.82 13.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.835 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.07 16.26 4.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 72.45 112.534 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -72.01 117.74 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 73.25 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -72.26 145.26 48.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.919 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.65 110.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.418 . . . . 74.34 111.094 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -77.11 63.95 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.924 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -93.66 12.34 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 75.03 111.108 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 41.21 38.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.51 110.964 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -58.57 103.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.905 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.39 -53.55 56.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.878 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 p -89.06 142.73 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 64.14 111.168 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -126.2 165.52 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.32 111.192 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -95.54 116.67 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 71.52 110.84 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 t -99.56 26.95 5.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 72.22 110.815 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.07 79.8 1.83 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.776 -0.726 . . . . 71.15 112.52 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -106.71 -30.77 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 73.2 110.907 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.7 tt -108.35 145.8 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.21 111.078 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 t -152.34 149.02 28.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 75.53 111.101 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -102.03 139.84 37.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.913 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -152.09 137.17 17.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.83 -60.01 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.41 111.149 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -153.1 160.57 30.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.6 0.714 . . . . 75.03 110.847 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 135.89 31.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 70.12 112.384 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.7 116.05 11.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 73.05 111.101 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -54.33 131.24 41.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.85 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.13 -58.08 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.54 110.897 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -168.53 160.57 8.72 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 65.1 110.879 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -34.03 15.34 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.743 2.295 . . . . 74.44 112.347 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -126.79 140.93 52.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.934 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -84.32 -23.0 30.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.424 . . . . 73.21 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.01 -31.86 20.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.46 -25.11 49.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 75.33 110.919 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -80.35 -29.74 37.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 75.11 110.917 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -73.51 -27.32 61.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 75.42 110.858 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.0 -46.31 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 73.13 110.888 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -51.78 -32.2 30.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 74.35 110.877 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.98 -41.4 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 64.3 111.062 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.52 113.56 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 75.52 111.112 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.87 -7.68 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 71.22 110.879 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -51.62 -30.04 19.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 73.15 110.947 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -51.66 109.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.907 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -113.26 -26.33 8.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.43 110.821 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 58.15 35.86 25.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.03 110.916 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.66 39.05 3.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 75.13 112.476 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.2 tp -55.51 -67.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 74.42 110.92 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.4 t -149.06 74.74 9.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 74.5 111.143 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.69 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.25 . . . . 71.41 112.301 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.84 -84.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.72 . . . . 71.23 112.463 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 74.11 110.919 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.861 0.363 . . . . 54.21 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.56 134.82 46.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.24 21.67 10.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 72.13 110.816 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -165.07 128.71 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 72.31 110.959 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.2 p -85.22 141.52 30.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.45 111.137 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.9 mt -91.98 151.75 20.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.92 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.75 -179.66 43.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 72.55 112.486 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -8.52 23.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 74.34 112.292 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -104.22 -20.72 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 74.32 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.14 2.87 24.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 71.12 112.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.15 160.23 30.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.75 0.309 . . . . 74.34 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.26 145.81 38.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.909 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -140.96 88.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.14 111.14 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -51.79 104.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.51 110.9 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -133.37 8.76 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 65.24 111.156 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 50.98 30.89 5.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 71.33 110.911 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -61.71 100.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.896 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -57.6 110.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.91 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 p -77.67 144.2 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 75.43 111.136 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.1 m -81.14 118.78 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 74.42 111.113 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -74.5 142.57 44.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 64.14 110.882 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -67.11 -50.79 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.858 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 176.41 51.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 75.41 112.518 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -104.08 167.16 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 74.13 110.831 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -127.03 140.94 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 71.42 111.124 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -103.36 145.93 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 71.24 111.127 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -70.13 114.75 8.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 75.05 110.875 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -107.04 30.92 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 62.12 110.877 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.84 146.55 39.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 75.35 111.092 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -119.18 160.54 40.8 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.528 0.68 . . . . 75.43 110.909 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 172.04 13.32 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.709 2.273 . . . . 72.14 112.352 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 102.81 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 64.15 111.073 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -59.78 153.18 21.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.823 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -114.05 132.96 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 70.34 110.878 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -149.42 73.39 9.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.687 0.756 . . . . 72.24 110.892 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -9.2 25.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 73.31 112.388 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -91.52 12.97 19.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 72.42 110.936 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -78.8 -22.88 45.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.854 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -74.18 -29.64 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -69.27 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 72.43 110.946 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 t -83.36 1.74 39.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 62.31 110.824 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -5.56 59.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -57.59 -23.8 52.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 63.04 110.935 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -39.91 64.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.55 110.877 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 t -77.2 -45.84 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 71.24 111.071 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 m -59.78 134.91 57.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 73.13 111.206 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.82 117.07 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 73.32 110.921 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -114.01 -32.48 6.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 72.24 110.934 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -57.45 -179.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 71.53 110.889 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.98 36.02 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 74.13 110.913 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -51.71 -30.22 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.841 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.37 66.14 2.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 75.21 112.503 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.78 -32.35 65.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.901 0.382 . . . . 74.31 110.904 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t 58.67 72.73 0.8 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 75.15 111.126 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 118.3 5.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.614 2.21 . . . . 75.32 112.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.47 -116.0 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 74.22 112.497 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 71.23 110.857 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.872 0.368 . . . . 74.33 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -76.8 146.63 37.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.896 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -106.94 38.78 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.916 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -165.03 139.27 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -90.67 142.4 27.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 74.1 111.148 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt -91.18 154.47 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 64.22 110.929 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.64 -178.95 38.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 75.33 112.456 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.36 23.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 54.32 112.357 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -104.76 -20.41 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 70.22 110.848 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.39 2.85 26.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.2 112.451 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -76.49 164.28 26.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 72.13 110.89 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 141.32 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.855 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.51 115.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.116 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -57.46 99.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 75.55 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.43 24.49 1.57 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.071 -0.513 . . . . 71.54 111.098 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.82 121.9 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 65.43 110.926 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp 51.77 39.46 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.918 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -52.32 -30.12 26.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.24 110.937 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.37 127.21 29.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 75.52 111.131 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -89.15 95.71 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 73.34 111.08 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -51.79 136.03 28.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.192 -0.458 . . . . 73.54 110.859 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -112.03 -25.08 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 73.35 110.86 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.19 -62.37 5.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.704 . . . . 62.54 112.388 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -107.16 147.05 30.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 61.02 110.834 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 tt -141.91 144.38 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.41 111.074 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 t -128.17 133.22 48.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 71.45 111.096 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -160.73 155.52 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.944 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -80.35 173.31 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.845 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.62 155.77 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 75.53 111.135 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -128.55 71.43 80.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 72.54 110.859 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.43 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.762 2.308 . . . . 73.04 112.339 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -154.78 140.74 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 71.41 111.049 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -167.46 168.96 12.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.872 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -107.18 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.861 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -118.68 69.0 8.5 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.68 0.752 . . . . 74.32 110.891 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -16.93 38.0 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.734 2.289 . . . . 72.35 112.318 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -91.57 12.86 19.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 63.21 110.857 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.81 -22.91 64.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.865 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.87 -32.79 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.91 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.23 -26.26 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.944 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 t -96.03 26.13 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 62.42 110.853 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -65.7 -27.05 68.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.888 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -56.38 -25.47 49.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.893 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -51.98 -30.13 23.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.52 110.847 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.0 m -51.68 -29.91 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 70.44 111.12 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.6 m 49.12 32.47 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.195 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.7 mt -56.24 110.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.938 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -95.83 26.58 3.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 71.03 110.922 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -103.3 26.04 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.898 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -81.14 157.32 25.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.879 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -52.38 -68.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 73.54 110.838 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.31 27.78 25.5 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.765 -0.731 . . . . 75.05 112.501 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.23 151.32 47.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.909 0.385 . . . . 70.13 110.922 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.94 157.63 69.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.654 0.74 . . . . 72.11 111.077 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.43 32.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.719 2.28 . . . . 72.13 112.297 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.84 -124.59 5.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 74.22 112.488 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 73.45 110.974 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 74.34 110.866 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.8 mt -150.34 131.4 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 ttm -122.34 25.9 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 72.22 110.838 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 13' ' ' ARG . 34.0 p90 -157.53 136.1 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.962 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 p -91.17 162.09 14.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 64.23 111.117 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.39 158.04 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.965 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.83 179.48 30.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 73.13 112.454 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 73.31 112.374 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -104.64 -18.51 14.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 62.11 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.43 3.29 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 74.32 112.491 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -88.21 131.19 34.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 74.54 110.895 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 13.9 ptt85 -80.33 161.62 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.94 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -151.28 122.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.45 111.146 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -58.13 -175.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 70.22 110.879 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m 67.22 45.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 75.34 111.172 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tp -51.2 -57.51 8.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.918 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -54.25 106.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 72.1 110.855 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -52.71 -55.03 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.903 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.09 141.45 46.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 75.12 111.121 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -73.63 -54.82 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 60.12 111.145 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.44 110.92 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.931 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -57.75 -36.96 72.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 64.1 110.796 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.5 156.57 28.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 75.42 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -76.15 131.53 39.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 71.34 110.904 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.3 tt -99.34 -26.63 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.192 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -76.36 118.58 19.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 72.11 111.133 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 ptpp? -89.9 160.44 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.91 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.7 t -138.95 120.34 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 73.12 110.836 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.75 142.15 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 63.21 111.068 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -167.32 68.78 0.93 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.653 0.74 . . . . 73.32 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 87.54 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.745 2.296 . . . . 74.44 112.32 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.66 147.02 35.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 62.24 111.033 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -176.72 111.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.902 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -114.95 169.92 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.915 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -161.09 71.7 2.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.65 0.738 . . . . 74.23 110.841 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -48.26 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.717 2.278 . . . . 73.52 112.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -119.32 12.92 12.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.891 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -85.01 -22.88 28.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.861 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.82 -33.6 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.945 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.28 -27.63 62.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.913 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.0 p -55.38 -26.42 41.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.86 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -26.91 64.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.903 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -58.53 -23.95 59.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 64.1 110.926 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -54.78 -26.64 35.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.833 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.5 -39.39 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.53 111.07 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.3 t -51.53 142.85 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.141 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -62.21 -25.03 67.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.33 111.003 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -60.14 -33.41 72.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 65.21 110.884 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -54.64 -28.92 50.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.925 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -80.48 135.71 36.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.903 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -86.71 -27.61 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.83 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.74 76.98 1.67 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.813 -0.708 . . . . 50.15 112.482 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tp -100.57 130.91 46.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.375 . . . . 72.21 110.916 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.6 t 53.93 70.61 1.66 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.656 0.741 . . . . 74.11 111.147 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 -172.37 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 75.41 112.366 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.77 97.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 64.21 112.526 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 74.33 110.869 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.853 0.359 . . . . 73.33 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.41 169.3 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.55 110.888 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.69 22.12 11.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 62.2 110.925 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -164.87 129.36 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.944 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -83.67 160.11 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.134 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.29 157.29 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.961 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.32 179.53 33.52 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 71.31 112.463 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -8.4 23.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 75.41 112.334 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -101.56 -21.87 14.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.53 110.848 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.84 4.36 24.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 73.04 112.524 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 164.06 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 74.45 110.883 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 146.31 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -144.0 106.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 72.45 111.206 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -51.85 103.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.875 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -136.45 28.28 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 71.42 111.173 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.08 -31.18 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.52 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -52.17 -30.15 25.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.911 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -58.36 -62.02 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.42 110.929 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.96 131.15 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 72.41 111.171 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -102.37 -30.67 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.173 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.58 132.7 35.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 65.13 110.904 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -90.88 -31.64 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.888 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.75 -121.26 0.92 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.739 . . . . 70.34 112.441 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -58.52 107.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 73.51 110.864 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.4 tp -51.57 154.71 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 71.52 111.137 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.4 p 48.94 35.67 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.201 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -53.15 -32.46 47.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 t -124.41 165.21 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.875 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.99 162.43 19.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.08 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -54.22 160.61 2.34 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.603 0.716 . . . . 73.42 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.22 56.42 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 73.03 112.382 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -29.56 68.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 72.24 111.14 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.57 161.5 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.846 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.3 104.43 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 64.1 110.821 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 p -171.03 70.08 0.51 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.675 0.75 . . . . 73.23 110.868 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.19 17.37 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.703 2.269 . . . . 72.22 112.315 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -128.75 145.95 51.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 70.23 110.899 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -84.93 -22.87 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.89 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -77.78 -4.0 44.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 74.32 110.94 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -52.81 -28.05 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.878 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 t -53.9 174.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.863 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -84.83 6.01 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 74.34 110.815 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -66.59 -23.39 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.955 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -86.21 -39.7 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -77.23 -30.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 65.51 111.083 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.3 t -52.4 142.07 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 71.14 111.196 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.3 tp 62.6 17.08 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 75.24 110.921 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 tttt 49.25 32.73 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.924 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -127.54 101.56 6.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.91 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -86.6 -73.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.916 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -107.74 21.51 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 73.45 110.943 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.23 -25.34 28.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 72.41 112.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 61.29 42.74 11.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 75.12 110.95 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t 63.38 68.5 0.91 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 73.22 111.114 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -173.3 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.609 2.206 . . . . 74.22 112.297 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.76 156.96 24.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 72.34 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 75.12 110.889 -179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.91 0.386 . . . . 71.21 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.92 155.89 39.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.866 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.9 ttp -134.23 22.55 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.887 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -165.32 147.74 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.944 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -96.28 138.85 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.01 111.173 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.5 157.94 20.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.24 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.82 -175.02 36.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 71.2 112.477 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -14.36 36.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 75.35 112.354 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.16 -24.6 14.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 73.41 110.916 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.81 17.65 6.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 74.52 112.479 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -90.89 143.3 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 71.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -79.6 144.32 33.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 64.3 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -142.42 98.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.158 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -53.73 104.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.877 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -148.67 30.56 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.085 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 tp -50.95 -58.43 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.948 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.1 mttt 52.16 42.92 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.868 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -54.7 -28.05 44.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.008 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.39 149.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 71.01 111.154 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -97.13 176.88 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.35 111.135 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -124.06 23.98 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.908 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 t -78.49 59.83 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.803 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.34 -60.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 74.44 112.517 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -89.08 112.83 23.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.796 0.331 . . . . 73.24 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.8 tt -119.47 149.01 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 73.34 111.188 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -94.8 113.49 25.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.064 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.03 169.48 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 p 52.01 35.92 17.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.941 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.1 110.09 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 72.3 111.089 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -151.33 160.56 31.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 74.33 110.813 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 93.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.731 2.287 . . . . 73.21 112.335 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.85 -173.27 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 62.12 111.107 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -175.9 131.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 72.31 110.881 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -109.63 23.8 13.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.844 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m 52.93 73.31 0.96 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.685 0.755 . . . . 70.22 110.806 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.31 37.64 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 71.35 112.401 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -52.03 168.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.875 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -85.01 -22.96 28.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.867 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.36 3.21 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -51.88 -30.82 25.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 72.44 110.955 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.0 t -102.61 91.23 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 71.51 110.83 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -21.96 53.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 74.14 110.804 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -52.13 -33.13 38.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.05 110.947 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -52.2 -32.86 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.945 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.93 -40.78 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 70.23 111.12 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -53.67 132.32 40.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 73.11 111.187 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.2 mp -60.38 116.45 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 75.12 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -65.94 -32.39 73.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 75.3 110.92 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.54 142.47 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.847 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -82.68 -57.43 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.919 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -52.37 126.09 18.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 64.5 110.944 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.33 25.22 0.77 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 63.44 112.524 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tt -96.88 -28.12 14.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.833 0.349 . . . . 74.43 110.954 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.33 133.26 7.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 71.11 111.14 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 96.36 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 75.31 112.338 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.55 82.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 75.13 112.451 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 74.02 110.879 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.8 m80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.794 0.33 . . . . 74.45 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.14 127.43 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.0 mmt -98.38 26.32 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.816 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -161.79 123.33 2.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.28 -0.418 . . . . 71.33 110.956 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -80.39 156.73 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 74.52 111.144 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -107.53 163.84 12.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 63.42 110.944 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.9 -176.47 32.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 71.33 112.536 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -14.19 35.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 75.52 112.334 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -108.71 -20.2 13.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.863 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.2 13.52 6.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 71.42 112.469 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.3 129.6 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 75.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -79.48 148.18 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.6 mt -144.48 122.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 75.34 111.108 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -73.96 170.16 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 p 52.62 27.26 4.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 70.1 111.16 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 40.92 39.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -77.24 59.93 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.938 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -59.13 -30.71 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.962 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.7 t -56.57 129.38 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.121 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -124.17 156.95 35.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.151 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.9 117.58 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.907 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 t -73.08 -26.55 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 61.22 110.862 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.5 31.02 59.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 72.55 112.483 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -96.88 168.09 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 75.25 110.941 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -53.02 146.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.141 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.4 p -75.39 141.1 43.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 72.43 111.062 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -58.52 163.37 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 75.52 110.941 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.1 m -99.82 164.29 12.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.886 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.81 -55.31 11.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 61.32 111.066 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -104.86 160.62 25.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 73.13 110.835 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -21.61 33.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.259 . . . . 72.34 112.361 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.85 38.07 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.1 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -79.26 95.71 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.885 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -160.2 143.7 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 71.2 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m -52.05 160.54 1.16 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 73.21 110.886 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -40.05 5.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 74.51 112.37 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -156.48 150.06 24.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.92 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -79.35 -22.97 43.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.876 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -30.73 70.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.88 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.67 -25.41 53.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.907 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -78.32 106.41 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 71.25 110.902 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -73.59 -26.26 60.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -57.27 -23.82 50.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -25.86 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.863 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -52.32 -35.19 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 73.52 111.131 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.26 110.55 20.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 75.53 111.145 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -153.34 103.26 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.03 110.931 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.95 41.59 23.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.898 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.01 154.95 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 75.32 110.902 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -151.97 156.35 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 72.02 110.922 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -69.79 -69.71 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 74.35 110.867 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.12 -75.22 1.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.706 -0.759 . . . . 72.04 112.458 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.03 136.32 48.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.87 0.367 . . . . 73.55 110.887 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.5 t -141.24 73.8 25.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.697 0.761 . . . . 75.12 111.186 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 150.84 68.92 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 75.42 112.308 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.63 89.44 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 72.51 112.459 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 73.45 110.958 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.821 0.343 . . . . 64.55 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.5 mt -87.76 132.02 34.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.852 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.6 mtm -112.97 22.91 13.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 72.34 110.849 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -165.12 128.83 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.938 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.0 p -80.69 143.06 33.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 63.14 111.124 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.1 mt -103.33 144.81 30.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 75.23 110.893 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.4 -165.65 41.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 70.33 112.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.97 24.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.582 2.188 . . . . 62.24 112.425 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -109.06 23.62 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 53.24 110.888 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.57 19.46 71.07 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.691 -0.766 . . . . 75.11 112.511 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -67.32 107.61 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 72.01 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -71.47 144.18 49.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.872 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -145.75 109.29 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 73.02 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -52.27 116.38 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 75.13 110.894 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -139.08 23.77 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 74.53 111.132 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 pp -51.96 -32.07 31.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.903 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -30.22 42.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.86 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -52.53 117.33 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.916 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.56 139.2 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 72.42 111.182 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -102.47 -24.63 13.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.119 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 51.72 66.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 74.14 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.5 m -95.54 25.05 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 75.34 110.833 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.46 -134.6 7.23 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 60.12 112.518 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -157.85 122.25 4.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 73.4 110.823 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -131.2 142.93 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 71.25 111.125 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -161.85 166.52 26.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 73.33 111.111 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -130.47 114.09 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 t -138.79 166.25 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 54.12 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.14 173.66 11.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 72.53 111.105 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -169.8 71.85 0.65 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.583 0.706 . . . . 72.43 110.874 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.6 9.28 Favored 'Trans proline' 0 C--O 1.23 0.103 0 C-N-CA 122.738 2.292 . . . . 61.33 112.299 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.27 109.97 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.06 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.01 118.46 4.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.879 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -114.43 173.15 6.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 64.35 110.891 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.6 p -50.94 108.9 1.15 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.671 0.748 . . . . 74.13 110.848 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.65 7.46 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.683 2.255 . . . . 72.0 112.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -65.74 120.55 13.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.905 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -84.99 -22.9 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.895 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -2.36 41.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.54 110.889 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -51.49 -31.14 22.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 73.25 110.901 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -96.04 36.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 74.24 110.937 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -70.19 -25.06 63.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 74.22 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -54.95 -26.41 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.984 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -52.0 -31.62 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.872 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.3 t -52.06 -40.76 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 75.11 111.183 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -57.73 161.53 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 70.01 111.123 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.72 120.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 75.33 111.016 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 118.13 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 74.45 110.876 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -114.56 -30.12 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.944 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -57.58 147.56 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.941 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -81.18 -34.03 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.03 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.99 33.54 79.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 61.52 112.477 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.99 -27.88 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 75.54 110.87 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t 59.66 69.42 1.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 73.54 111.105 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 -17.51 37.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 64.44 112.347 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 111.97 143.76 9.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 74.43 112.446 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.744 0.307 . . . . 72.54 110.856 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.833 0.349 . . . . 75.14 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -113.26 160.09 18.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.6 mtt -106.16 25.31 11.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.868 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -165.07 133.13 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 75.12 110.898 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -80.67 160.59 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 72.42 111.112 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.8 mt -118.25 152.96 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -165.14 32.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 55.21 112.501 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -30.49 21.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.575 2.183 . . . . 73.32 112.347 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -109.11 24.06 13.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.03 110.849 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.09 20.4 67.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 74.55 112.482 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.53 108.7 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 75.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -72.06 144.79 48.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.14 110.859 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.2 mt -145.25 106.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.13 111.156 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -61.99 98.21 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.862 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -126.5 24.57 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.085 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.84 -31.62 28.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 74.31 110.861 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -52.01 -31.4 29.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 75.41 110.86 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -55.44 116.43 2.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 73.12 110.948 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -103.96 151.75 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 75.14 111.157 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -104.81 175.24 5.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 62.14 111.16 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -116.99 84.79 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 75.15 110.843 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t 55.37 25.89 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.847 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.33 -144.64 34.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 74.32 112.432 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -150.05 108.33 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 72.01 110.893 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.7 mm -74.27 -47.01 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.2 111.028 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.9 p -124.31 130.29 52.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.166 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -73.97 128.36 35.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.31 110.91 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.7 p -89.25 152.31 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.81 155.89 16.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 63.03 111.116 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -69.75 160.62 79.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 73.24 110.863 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -16.48 37.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.608 2.205 . . . . 74.32 112.378 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.86 121.09 9.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 72.3 111.174 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -76.74 64.61 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.93 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -130.14 126.8 38.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.912 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.33 160.56 45.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.691 0.758 . . . . 71.24 110.833 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -26.39 28.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 75.35 112.377 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 64.22 15.28 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.25 -22.99 41.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.5 110.834 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -66.7 -30.01 70.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.901 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -58.91 -22.79 60.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.939 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -51.86 126.78 19.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 75.55 110.889 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -84.4 3.63 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.834 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.94 -23.59 63.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.86 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -38.45 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.908 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.01 -30.53 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 72.33 111.148 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.6 t -54.27 -26.88 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 74.54 111.098 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -154.77 104.0 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 75.02 110.903 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -107.66 -32.4 7.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.892 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -90.22 -65.15 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.905 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -81.82 162.04 22.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.827 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -131.42 129.87 41.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.879 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 59.23 5.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 74.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mt -114.45 -28.46 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 71.32 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.56 133.16 6.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.589 0.709 . . . . 73.44 111.13 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -40.98 4.58 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.635 2.223 . . . . 74.41 112.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.59 156.89 31.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.783 -0.722 . . . . 65.52 112.516 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 70.11 110.867 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.9 m80 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.817 0.342 . . . . 74.31 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mt -73.0 174.73 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.903 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 ptm -119.71 21.58 11.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 75.01 110.865 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -165.04 134.57 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 74.33 110.886 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -79.76 164.47 23.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 64.4 111.133 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.4 mt -112.23 152.48 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.55 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.52 -165.25 36.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.709 . . . . 71.31 112.462 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.6 16.04 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.635 2.223 . . . . 75.43 112.326 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.1 24.33 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.68 31.38 50.01 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.717 -0.754 . . . . 71.13 112.404 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -87.61 111.51 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 75.05 110.858 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.85 144.53 48.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 71.44 110.861 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -146.91 106.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.3 111.102 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -53.98 101.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.908 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -138.69 25.36 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 65.3 111.171 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.4 tp -55.32 120.46 7.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.916 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -55.47 -36.2 66.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.848 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -61.57 114.66 3.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.898 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 p -130.61 135.34 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 72.32 111.118 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -89.01 124.88 34.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 65.02 111.124 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.25 132.69 35.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 70.43 110.967 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -89.83 -28.92 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.92 115.19 0.52 Allowed Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.699 -0.762 . . . . 75.1 112.459 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -51.11 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 74.41 110.89 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.1 mt -88.47 131.69 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 75.32 111.084 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.0 t -103.27 -30.78 10.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.15 111.118 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 177.3 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.845 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -152.55 109.08 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.877 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.36 157.29 37.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.107 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -166.62 71.74 1.11 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.554 0.693 . . . . 70.54 110.823 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 90.02 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 74.33 112.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.42 -62.36 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 72.25 111.123 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.63 125.11 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.838 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -156.83 141.15 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -120.9 160.52 44.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.664 0.745 . . . . 74.52 110.895 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -43.66 2.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.723 2.282 . . . . 73.44 112.38 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -113.69 132.8 55.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.861 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -85.17 -22.68 28.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.84 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.03 -5.79 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 62.22 110.919 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -52.3 -29.54 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.945 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 p -59.57 104.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 75.31 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.23 -25.75 42.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 73.13 110.901 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -46.58 65.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.887 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -31.98 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.11 -53.94 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.03 111.136 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -62.53 159.09 16.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 75.23 111.081 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.72 127.43 31.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.936 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -84.77 128.57 34.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.924 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -100.09 163.93 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.901 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -87.17 132.37 33.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.868 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.37 -28.15 21.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 64.35 110.863 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.83 78.2 1.4 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.783 -0.723 . . . . 71.35 112.52 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.5 -74.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 74.51 110.933 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -144.93 125.23 7.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.547 0.689 . . . . 74.33 111.178 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 134.83 29.12 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.272 . . . . 74.41 112.396 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.37 32.06 3.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 72.41 112.439 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 73.31 110.905 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.848 0.356 . . . . 71.34 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -80.05 165.15 22.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.867 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -99.28 26.2 6.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 73.04 110.948 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -164.44 124.53 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.965 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 p -82.18 139.58 34.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 73.23 111.182 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.3 mt -93.77 164.9 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.877 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.86 -177.93 29.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.711 . . . . 73.55 112.54 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -10.31 28.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 72.2 112.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -108.65 -21.52 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.2 110.929 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.6 16.53 6.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 61.33 112.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.93 137.2 33.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 75.24 110.918 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -78.34 145.2 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.909 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.7 mt -143.23 104.24 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -53.05 105.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 p -132.51 24.05 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 75.42 111.175 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.82 -45.9 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 74.4 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.02 132.78 55.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.852 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -57.85 134.41 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.945 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.01 120.67 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 71.42 111.12 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -103.99 -38.95 6.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 74.22 111.196 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -87.07 137.56 32.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -120.93 33.83 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.3 110.83 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.58 -157.17 37.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.802 -0.713 . . . . 74.11 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -103.67 128.39 51.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 70.53 110.919 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.01 134.81 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 75.45 111.078 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -57.77 160.95 4.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 74.43 111.168 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -93.59 -30.45 14.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.911 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -121.77 123.66 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.817 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.76 109.4 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 75.24 111.078 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 t60 60.75 68.41 1.31 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.613 0.721 . . . . 72.01 110.854 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -18.85 37.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.754 2.303 . . . . 75.44 112.384 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 55.88 44.53 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 74.34 111.034 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -60.47 134.41 57.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.909 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -135.79 136.19 40.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.899 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.01 160.33 0.12 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 75.13 110.863 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -43.75 2.45 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.717 2.278 . . . . 75.15 112.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.6 t70 64.21 15.24 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 72.45 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -75.22 -22.97 57.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -93.03 -36.3 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.841 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.65 -26.5 68.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.302 -0.408 . . . . 74.4 110.878 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -67.63 138.04 56.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 74.24 110.861 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -83.7 -25.52 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 63.11 110.879 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -53.51 -28.77 32.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -61.36 -28.91 69.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.89 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.3 t -76.19 -41.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 71.41 111.056 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.69 176.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.24 111.182 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.71 132.33 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.909 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -80.47 124.92 29.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.925 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -128.71 111.89 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 74.15 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -132.41 149.02 52.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.858 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -97.13 -55.36 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.859 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.57 -48.65 3.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 73.23 112.495 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.1 tp -106.67 131.92 53.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 74.44 110.885 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.28 133.28 24.3 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.647 0.737 . . . . 71.14 111.096 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.69 14.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 72.02 112.359 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.43 -152.92 29.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 71.24 112.503 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 72.41 110.873 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.1 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 74.13 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -165.03 141.11 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.42 110.879 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.8 p -90.68 138.84 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.25 111.147 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 13' ' ' ARG . 59.1 mt -91.98 160.27 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.927 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.41 -174.95 35.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 24.01 112.529 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.82 33.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 75.34 112.353 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.5 -22.04 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.831 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.66 17.44 5.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 34.44 112.476 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -82.83 131.05 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 73.44 110.985 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HA ' HD23 ' A' ' 7' ' ' LEU . 71.0 mtt180 -74.89 145.06 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 64.34 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.8 mt -143.83 108.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.35 111.139 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.927 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.815 0.34 . . . . 72.21 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 7' ' ' LEU . 13.3 p90 -164.75 131.61 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.898 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.7 p -83.42 142.35 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.145 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 5' ' ' TYR . 51.6 mt -93.86 167.08 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 65.4 110.919 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.49 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 64.22 112.475 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.54 35.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 74.14 112.343 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.48 -23.88 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 60.13 110.923 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.54 17.6 4.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 50.44 112.525 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -80.19 117.53 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 62.15 110.87 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.63 148.66 28.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.88 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -147.79 110.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 74.55 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 64.55 110.928 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 71.13 110.919 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -155.22 123.89 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.933 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 p -81.48 147.3 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 72.32 111.159 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 13' ' ' ARG . 51.7 mt -97.79 160.52 14.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 62.53 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.95 -174.59 37.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.495 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -15.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 54.25 112.301 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -109.01 -21.52 12.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.845 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.73 17.4 4.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 62.33 112.505 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.59 125.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 63.43 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HA ' HD23 ' A' ' 7' ' ' LEU . 62.4 mtt-85 -73.38 146.45 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 70.21 110.844 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.72 99.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 75.32 111.066 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.883 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.787 0.327 . . . . 62.13 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -165.2 129.24 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.987 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -81.55 155.62 25.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 62.4 111.203 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.9 mt -103.67 155.94 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.926 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.97 -179.37 37.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 52.25 112.449 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 71.04 112.385 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -105.61 -20.54 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 65.22 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.46 3.82 23.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 44.02 112.451 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -76.15 164.35 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.332 . . . . 75.43 110.897 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.54 144.49 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.842 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.2 mt -144.02 102.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 62.24 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 64.01 110.937 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 71.43 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -165.19 133.83 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.949 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.1 p -79.82 164.57 23.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 65.24 111.192 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.1 mt -111.83 153.16 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.928 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.28 -165.28 35.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.742 -0.742 . . . . 41.12 112.409 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 74.31 112.342 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.06 24.55 12.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.854 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.18 32.37 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.04 112.512 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -88.66 111.04 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 65.3 110.9 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.11 145.81 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.956 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -145.81 103.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.42 111.141 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.918 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.831 0.348 . . . . 74.31 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.505 ' HE2' HD21 ' A' ' 7' ' ' LEU . 32.5 p90 -162.23 124.93 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.924 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.9 p -80.58 139.31 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 63.14 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' A' ' 5' ' ' TYR . 58.6 mt -95.93 161.86 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.895 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.74 -168.56 25.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 50.33 112.48 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.51 27.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 54.32 112.338 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -108.91 24.16 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.2 30.71 64.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.681 -0.771 . . . . 34.32 112.496 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -85.02 117.93 24.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 75.33 110.929 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 48.5 mtm-85 -70.49 144.64 51.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 71.01 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -144.43 105.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.189 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.885 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.803 0.335 . . . . 54.35 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.526 ' HE2' HD21 ' A' ' 7' ' ' LEU . 16.4 p90 -159.79 127.12 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.914 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -84.5 138.66 32.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 64.15 111.14 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.526 HD21 ' HE2' ' A' ' 5' ' ' TYR . 55.8 mt -96.62 162.02 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 54.41 110.896 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.42 -171.35 33.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 72.43 112.475 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -17.21 37.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.232 . . . . 63.53 112.365 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.0 -22.06 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.93 16.21 4.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 74.21 112.518 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -76.64 117.48 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 75.32 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.1 mtp-105 -64.51 147.14 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.912 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -146.93 107.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.04 111.129 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.93 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.691 0.282 . . . . 62.43 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -165.15 129.71 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.3 p -86.33 149.25 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 74.21 111.108 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 mt -99.56 152.15 20.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 73.31 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.77 179.74 40.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 72.14 112.473 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -8.56 23.91 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.667 2.245 . . . . 75.21 112.318 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -101.67 -19.88 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.818 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.5 3.34 29.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 71.44 112.468 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -78.34 162.54 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 73.44 110.845 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.66 38.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.901 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -143.0 103.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 71.12 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.94 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.81 0.338 . . . . 72.43 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -165.0 133.89 3.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.956 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 p -85.05 161.19 19.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 73.42 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.3 mt -107.79 164.24 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 64.03 110.977 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.02 -168.34 28.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.687 -0.768 . . . . 72.35 112.494 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -21.39 33.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.739 2.293 . . . . 60.31 112.308 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.91 -20.63 13.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.827 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.17 15.78 4.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.85 -0.691 . . . . 64.43 112.524 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.85 129.6 35.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 74.21 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -71.6 148.92 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.0 mt -148.84 103.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.42 111.163 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.957 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.763 0.316 . . . . 63.3 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -162.62 123.51 2.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 64.31 110.958 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -79.16 150.05 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 70.42 111.188 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 13' ' ' ARG . 58.5 mt -103.88 164.43 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.912 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.98 -171.9 31.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 40.12 112.497 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.93 36.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 73.01 112.336 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.11 -18.82 13.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.835 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.07 16.26 4.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 63.04 112.534 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -72.01 117.74 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 61.12 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 43.3 mtm180 -72.26 145.26 48.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 54.31 110.919 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.65 110.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.418 . . . . 73.3 111.094 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.924 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.804 0.335 . . . . 65.54 110.816 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -165.07 128.71 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 65.55 110.959 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.2 p -85.22 141.52 30.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.137 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.9 mt -91.98 151.75 20.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.75 -179.66 43.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.486 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -8.52 23.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 72.52 112.292 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -104.22 -20.72 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 71.12 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.14 2.87 24.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 34.04 112.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.15 160.23 30.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.75 0.309 . . . . 64.22 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.26 145.81 38.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.909 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -140.96 88.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.14 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.01 110.9 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.36 . . . . 63.21 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -165.03 139.27 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -90.67 142.4 27.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 72.11 111.148 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt -91.18 154.47 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 64.22 110.929 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.64 -178.95 38.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 75.33 112.456 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.36 23.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 54.32 112.357 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -104.76 -20.41 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 70.22 110.848 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.39 2.85 26.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.2 112.451 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -76.49 164.28 26.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 41.21 110.89 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 141.32 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.855 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.51 115.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 53.41 111.116 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 75.55 110.93 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 63.01 110.838 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 13' ' ' ARG . 34.0 p90 -157.53 136.1 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.962 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 p -91.17 162.09 14.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 55.11 111.117 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.39 158.04 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 61.12 110.965 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.83 179.48 30.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 54.3 112.454 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 63.33 112.374 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -104.64 -18.51 14.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 62.11 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.43 3.29 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 74.32 112.491 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -88.21 131.19 34.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 74.54 110.895 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 13.9 ptt85 -80.33 161.62 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.94 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -151.28 122.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.146 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 70.22 110.879 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.832 0.348 . . . . 45.45 110.925 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -164.87 129.36 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.944 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -83.67 160.11 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 42.14 111.134 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.29 157.29 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.961 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.32 179.53 33.52 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 22.01 112.463 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -8.4 23.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 75.41 112.334 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -101.56 -21.87 14.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.53 110.848 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.84 4.36 24.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 73.04 112.524 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.511 ' NZ ' HD11 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -80.57 164.06 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 71.21 110.883 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 146.31 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.511 HD11 ' NZ ' ' A' ' 12' ' ' LYS . 76.1 mt -144.0 106.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 52.35 111.206 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.875 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.9 ttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.791 0.329 . . . . 71.43 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -165.32 147.74 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.944 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -96.28 138.85 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.01 111.173 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.5 157.94 20.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 61.01 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.82 -175.02 36.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 71.2 112.477 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -14.36 36.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 72.24 112.354 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.16 -24.6 14.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.916 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.81 17.65 6.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 44.02 112.479 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -90.89 143.3 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 64.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -79.6 144.32 33.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 64.3 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -142.42 98.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.158 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.877 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.0 mmt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.721 0.296 . . . . 74.35 110.816 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -161.79 123.33 2.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.28 -0.418 . . . . 71.33 110.956 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -80.39 156.73 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 74.52 111.144 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -107.53 163.84 12.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 54.1 110.944 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.9 -176.47 32.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 71.33 112.536 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -14.19 35.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 75.52 112.334 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -108.71 -20.2 13.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.863 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.2 13.52 6.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 71.42 112.469 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.3 129.6 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 75.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -79.48 148.18 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.6 mt -144.48 122.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.108 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.925 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.6 mtm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.835 0.35 . . . . 72.34 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.545 ' HE2' HD21 ' A' ' 7' ' ' LEU . 17.9 p90 -165.12 128.83 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.938 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.0 p -80.69 143.06 33.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 62.41 111.124 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.545 HD21 ' HE2' ' A' ' 5' ' ' TYR . 57.1 mt -103.33 144.81 30.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 75.23 110.893 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.4 -165.65 41.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 52.24 112.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.97 24.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.582 2.188 . . . . 54.11 112.425 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -109.06 23.62 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 53.24 110.888 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.57 19.46 71.07 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.691 -0.766 . . . . 75.11 112.511 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -67.32 107.61 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 71.4 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' HD23 ' A' ' 7' ' ' LEU . 52.2 mtt-85 -71.47 144.18 49.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.872 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -145.75 109.29 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 64.21 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.4 110.894 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.73 0.3 . . . . 71.24 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.496 ' CE2' HD21 ' A' ' 7' ' ' LEU . 16.4 p90 -165.07 133.13 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 75.12 110.898 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -80.67 160.59 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 63.4 111.112 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.496 HD21 ' CE2' ' A' ' 5' ' ' TYR . 56.8 mt -118.25 152.96 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.875 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -165.14 32.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 51.43 112.501 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -30.49 21.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.575 2.183 . . . . 64.35 112.347 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -109.11 24.06 13.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.03 110.849 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.09 20.4 67.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 74.55 112.482 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.53 108.7 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 75.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -72.06 144.79 48.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.44 110.859 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.2 mt -145.25 106.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.13 111.156 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.862 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 ptm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.807 0.337 . . . . 75.01 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -165.04 134.57 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 63.31 110.886 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -79.76 164.47 23.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 61.25 111.133 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.4 mt -112.23 152.48 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.52 -165.25 36.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.709 . . . . 62.3 112.462 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.6 16.04 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.635 2.223 . . . . 75.41 112.326 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.1 24.33 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 51.21 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.68 31.38 50.01 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.717 -0.754 . . . . 71.13 112.404 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -87.61 111.51 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 74.34 110.858 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.85 144.53 48.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 70.23 110.861 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -146.91 106.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 44.11 111.102 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 64.41 110.908 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.839 0.352 . . . . 72.41 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.416 ' HE2' HD21 ' A' ' 7' ' ' LEU . 34.8 p90 -164.44 124.53 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.965 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 p -82.18 139.58 34.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 42.34 111.182 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD21 ' HE2' ' A' ' 5' ' ' TYR . 54.3 mt -93.77 164.9 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.877 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.86 -177.93 29.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.711 . . . . 73.55 112.54 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -10.31 28.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 64.34 112.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -108.65 -21.52 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.2 110.929 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.6 16.53 6.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 35.32 112.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.93 137.2 33.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 75.24 110.918 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HA ' HD23 ' A' ' 7' ' ' LEU . 31.6 mtm180 -78.34 145.2 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.909 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.7 mt -143.23 104.24 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.911 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 p80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.844 0.354 . . . . 72.22 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt -70.66 143.31 51.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.881 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.458 ' HB3' HD11 ' A' ' 17' ' ' LEU . 27.1 mtt -104.38 25.63 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.883 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -165.03 141.11 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.42 110.879 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.8 p -90.68 138.84 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.25 111.147 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 13' ' ' ARG . 59.1 mt -91.98 160.27 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.927 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.41 -174.95 35.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 24.01 112.529 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.82 33.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 75.34 112.353 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.5 -22.04 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.831 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.66 17.44 5.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 34.44 112.476 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -82.83 131.05 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 73.44 110.985 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HA ' HD23 ' A' ' 7' ' ' LEU . 71.0 mtt180 -74.89 145.06 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 64.34 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.591 HG22 HG23 ' A' ' 16' ' ' THR . 79.8 mt -143.83 108.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.35 111.139 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -61.33 95.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.927 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.591 HG23 HG22 ' A' ' 14' ' ' ILE . 8.6 p -138.0 51.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 72.33 111.125 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 4' ' ' MET . 1.2 mt -51.68 -46.18 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.925 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 55.27 35.34 24.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.885 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -59.98 -46.43 89.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 62.52 110.897 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.84 142.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 70.12 111.07 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -55.77 -73.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.1 111.172 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.61 149.05 24.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.871 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 m -132.09 75.06 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 62.21 110.869 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.08 149.51 21.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 75.53 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -77.99 118.52 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 73.23 110.871 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.0 mt -70.34 121.43 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 75.32 111.162 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.4 p -69.65 151.33 46.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 61.12 111.139 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -70.94 138.61 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.951 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.8 p -90.52 175.06 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.03 110.8 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 55.27 47.66 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.53 111.069 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.71 160.54 76.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 65.53 110.835 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 102.77 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 73.34 112.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.02 153.96 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 62.11 111.066 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -51.98 138.35 24.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.872 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -90.14 116.36 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 41.4 110.886 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 t -168.52 68.53 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.649 0.738 . . . . 73.32 110.854 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.62 14.2 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.714 2.276 . . . . 71.12 112.362 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -133.63 -179.72 5.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 62.24 110.873 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -84.99 -22.72 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.894 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -13.84 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.89 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -51.48 -30.51 20.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.926 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 p -69.38 129.68 40.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 73.12 110.875 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -68.45 -26.34 65.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 61.54 110.82 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -42.53 94.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.885 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -60.21 -32.64 71.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.91 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.5 t -76.29 -40.91 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 61.12 111.162 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -57.6 133.44 55.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 73.42 111.114 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.91 175.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.944 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.45 120.4 7.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.931 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -102.67 26.78 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 74.41 110.887 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -97.19 -27.7 14.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 52.16 45.95 27.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.27 60.23 4.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 74.1 112.454 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.3 mt -81.85 166.48 19.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 73.13 110.929 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.3 t -135.46 71.97 65.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.592 0.711 . . . . 74.33 111.101 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 140.85 43.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.237 . . . . 70.55 112.331 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.15 -136.42 3.41 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.734 -0.745 . . . . 60.42 112.49 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 73.34 110.889 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.788 0.328 . . . . 71.03 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.6 mp -75.28 122.71 24.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.954 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 tpp -119.99 28.85 7.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 72.21 110.861 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 7' ' ' LEU . 13.3 p90 -164.75 131.61 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.898 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.7 p -83.42 142.35 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.145 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 5' ' ' TYR . 51.6 mt -93.86 167.08 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 65.4 110.919 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.49 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 64.22 112.475 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.54 35.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 74.14 112.343 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.48 -23.88 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 60.13 110.923 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.54 17.6 4.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 50.44 112.525 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -80.19 117.53 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 62.15 110.87 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.63 148.66 28.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.88 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.558 HG22 ' OG1' ' A' ' 16' ' ' THR . 72.7 mt -147.79 110.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 74.55 111.138 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -69.85 84.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 64.55 110.928 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.558 ' OG1' HG22 ' A' ' 14' ' ' ILE . 3.1 m -146.41 32.53 0.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 62.31 111.162 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -51.67 -49.77 61.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.942 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -51.74 143.13 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 65.54 110.933 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt 63.56 47.33 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 73.22 110.941 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.4 t -143.13 144.23 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 45.25 111.14 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -124.67 160.37 28.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.133 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -98.86 27.11 5.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 51.21 110.92 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t 52.58 32.6 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.855 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 19.68 21.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 71.55 112.515 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -75.0 -41.72 58.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 53.31 110.935 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -87.19 132.72 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 74.34 111.134 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 p -120.32 174.32 6.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 41.53 111.104 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 175.31 5.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 53.32 110.943 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -90.21 154.85 19.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 53.22 110.814 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.97 160.92 26.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 62.42 111.158 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.7 m80 58.0 73.29 0.76 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 73.33 110.88 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.82 6.25 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 70.2 112.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.06 173.57 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 72.3 111.119 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -172.39 170.66 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 65.41 110.881 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -59.33 113.86 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.87 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.9 p -177.67 70.7 0.22 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.739 0.78 . . . . 72.12 110.826 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -46.16 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 63.13 112.36 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -158.49 173.74 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 63.44 110.786 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -85.11 -22.75 28.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.839 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -86.23 5.57 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -55.87 -25.48 42.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.44 110.888 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -51.89 168.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.844 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -77.93 -16.77 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -51.71 -29.95 20.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.902 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -54.69 -29.77 53.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.907 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.23 -42.92 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 74.53 111.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.37 103.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 74.02 111.111 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.9 mt -56.04 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.885 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 tttp 50.23 37.4 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.851 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -26.81 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.938 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 164.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 63.23 110.936 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -118.38 115.19 24.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.855 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.25 94.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 62.15 112.466 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.559 HD23 ' H ' ' A' ' 54' ' ' LEU . 1.8 pt? -118.51 141.08 48.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 64.34 110.98 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -139.54 70.1 38.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.701 0.762 . . . . 75.53 111.182 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.88 37.77 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.726 2.284 . . . . 74.43 112.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.51 -98.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 75.31 112.513 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 74.42 110.885 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.895 0.379 . . . . 73.4 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.92 144.17 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.963 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.766 ' HB2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -110.9 21.73 16.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.919 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -155.22 123.89 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.933 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 p -81.48 147.3 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 72.32 111.159 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 13' ' ' ARG . 51.7 mt -97.79 160.52 14.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 62.53 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.95 -174.59 37.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.495 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -15.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 54.25 112.301 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -109.01 -21.52 12.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.845 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.73 17.4 4.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 62.33 112.505 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.59 125.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 63.43 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HA ' HD23 ' A' ' 7' ' ' LEU . 62.4 mtt-85 -73.38 146.45 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 70.21 110.844 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.72 99.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 75.32 111.066 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.13 102.39 4.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.883 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 p -137.45 9.92 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.03 111.097 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.766 HD22 ' HB2' ' A' ' 4' ' ' MET . 0.2 OUTLIER 51.23 43.77 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.915 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.72 -67.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 52.2 110.917 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -59.59 174.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 74.43 110.891 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -107.75 149.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.31 111.114 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -115.93 173.7 6.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.52 111.18 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -88.98 138.27 31.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.845 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -83.13 -48.33 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 70.34 110.879 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.5 -69.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.427 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -71.87 158.64 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 74.33 110.905 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 tt -109.65 145.82 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.121 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.8 p -107.91 125.52 51.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.123 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -107.33 -26.25 11.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.903 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -96.38 34.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.838 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.06 136.5 52.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 74.41 111.051 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 58.75 72.5 0.83 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.596 0.712 . . . . 63.14 110.855 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.45 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 63.52 112.319 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.38 72.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.41 111.04 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.53 175.37 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 63.52 110.817 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -154.01 139.65 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 75.42 110.922 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -69.06 160.5 78.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.621 0.724 . . . . 61.41 110.865 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -40.14 5.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 63.35 112.37 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -80.92 110.55 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.88 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.04 -22.78 28.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -6.23 49.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.93 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -51.82 -30.21 22.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.955 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -71.18 -46.35 61.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 25.52 110.855 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -84.28 3.08 37.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 74.12 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -52.26 -34.38 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -58.18 3.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 62.45 110.87 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 m -57.71 -28.88 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.32 111.103 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.575 HG22 ' HG ' ' A' ' 48' ' ' LEU . 99.7 m -61.9 -42.61 99.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 61.45 111.102 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.575 ' HG ' HG22 ' A' ' 47' ' ' THR . 96.1 mt -154.74 123.53 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 65.14 111.001 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -95.36 130.73 42.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.864 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -31.49 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 70.12 110.856 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -52.05 -50.64 61.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 71.22 110.867 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.28 -32.3 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 63.12 110.915 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.7 -74.47 2.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 54.54 112.498 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.66 179.83 4.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.849 0.356 . . . . 71.11 110.945 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.67 71.7 3.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.643 0.735 . . . . 71.2 111.164 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 148.95 66.41 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.681 2.254 . . . . 73.21 112.405 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.43 -66.25 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 63.24 112.408 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 51.42 110.903 -179.837 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.74 0.305 . . . . 74.3 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.7 mp -76.23 143.36 41.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.284 -0.416 . . . . 62.35 110.957 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.33 26.29 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 62.13 110.842 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -165.2 129.24 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.987 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -81.55 155.62 25.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 62.4 111.203 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.9 mt -103.67 155.94 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.926 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.97 -179.37 37.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 52.25 112.449 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 71.04 112.385 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -105.61 -20.54 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 65.22 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.46 3.82 23.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 44.02 112.451 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -76.15 164.35 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.332 . . . . 75.43 110.897 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.54 144.49 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.842 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.2 mt -144.02 102.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 62.24 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.04 109.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 64.01 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 t -152.42 28.54 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 73.13 111.062 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.37 -31.28 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 64.12 110.88 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -66.48 102.22 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 61.24 110.905 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 139.14 25.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.914 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.73 136.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 71.12 111.115 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.3 m -83.96 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 65.43 111.164 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -68.48 124.36 23.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.845 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -92.63 -31.51 15.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 73.31 110.847 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.15 -75.45 0.29 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 54.54 112.511 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -141.81 157.25 45.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.855 0.36 . . . . 74.22 110.868 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.4 mt -119.99 132.96 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 64.15 111.116 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -112.24 157.87 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 75.44 111.21 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -141.34 165.88 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 m -110.38 159.01 17.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 73.32 110.902 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.4 158.41 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 71.43 111.046 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -171.68 71.45 0.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 64.32 110.905 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -21.73 32.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.281 . . . . 71.54 112.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.91 117.24 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 63.03 111.11 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -176.55 131.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.877 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -89.23 -55.11 3.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.847 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -173.22 72.42 0.39 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.677 0.751 . . . . 72.04 110.817 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -47.81 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 73.42 112.361 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 64.21 15.33 9.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 64.15 110.858 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.23 -22.89 60.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.827 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -1.8 41.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.86 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -51.91 -29.87 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.11 110.9 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -95.33 152.75 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.895 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -83.99 -25.2 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 74.22 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -52.0 -30.27 24.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.838 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 ttt-85 -52.11 -30.26 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 64.11 110.883 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.75 -41.27 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.01 115.35 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 73.42 111.098 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.43 117.17 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.917 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -64.06 118.79 9.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 42.15 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -79.81 -26.14 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.34 110.956 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -52.12 -63.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.876 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -56.49 104.86 0.16 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 75.44 110.81 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.65 27.72 1.92 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 61.54 112.514 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.64 150.27 20.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 75.01 110.943 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.37 71.25 67.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.646 0.736 . . . . 73.24 111.079 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -20.81 34.04 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.683 2.255 . . . . 74.1 112.294 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.08 -91.8 0.67 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 62.34 112.44 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 73.5 110.923 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 71.42 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.35 144.89 25.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 63.33 110.941 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -99.53 26.07 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.918 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -165.19 133.83 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.949 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.1 p -79.82 164.57 23.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 65.24 111.192 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.1 mt -111.83 153.16 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.928 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.28 -165.28 35.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.742 -0.742 . . . . 41.12 112.409 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 74.31 112.342 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.06 24.55 12.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.854 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.18 32.37 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.04 112.512 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -88.66 111.04 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 65.3 110.9 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.11 145.81 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.956 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -145.81 103.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.42 111.141 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -58.37 105.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -149.96 25.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 72.2 111.116 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -51.7 138.5 23.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 73.24 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -57.62 -32.95 67.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 55.05 110.88 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -60.13 135.94 57.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 63.22 110.947 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 22' ' ' GLU . 11.5 p -126.61 135.06 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 61.11 111.037 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -58.33 -37.69 75.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 75.11 111.106 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 20' ' ' VAL . 9.9 mm-40 -62.21 151.99 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 54.23 110.837 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.6 m -75.66 -40.99 55.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.83 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.58 -67.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 73.54 112.517 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.14 117.55 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 75.2 110.898 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.64 HG23 HG22 ' A' ' 27' ' ' THR . 20.2 tt -90.03 -32.55 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.1 111.075 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.64 HG22 HG23 ' A' ' 26' ' ' ILE . 2.1 t -139.88 131.27 26.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 71.03 111.138 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -99.01 126.22 44.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.888 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.87 26.57 9.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.95 149.77 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 51.54 111.099 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.0 m170 64.51 153.78 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 71.14 110.83 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.5 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 71.45 112.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.46 144.89 29.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.01 111.07 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -53.85 111.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 62.34 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -56.63 163.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.88 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -79.48 160.61 69.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 34.21 110.907 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -25.52 28.16 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.75 2.3 . . . . 53.25 112.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -96.49 12.55 31.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 54.52 110.814 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -85.13 -22.63 28.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.857 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -17.95 59.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.915 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -52.05 -30.26 24.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.869 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 71.4 p -104.11 -27.92 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 72.35 110.855 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -52.09 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.853 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -51.97 -30.25 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 74.42 110.85 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -53.12 -54.38 36.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.869 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -77.07 -29.86 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 71.33 111.082 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 m -60.37 122.51 14.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 54.32 111.186 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.37 126.52 27.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 74.14 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -25.47 20.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.868 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm 52.1 29.91 6.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 63.32 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 51.21 32.43 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.927 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.65 -24.57 67.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 72.04 110.928 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.13 61.86 3.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 63.12 112.481 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.17 26.44 8.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.347 . . . . 73.51 110.898 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.7 t 52.03 68.31 3.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 74.52 111.113 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -25.36 28.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.599 2.199 . . . . 73.31 112.376 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.89 94.5 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 70.25 112.453 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 63.42 110.857 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.0 m80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.818 0.342 . . . . 53.32 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.25 171.98 10.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 44.13 110.953 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 ptp -105.41 21.72 16.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.871 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.505 ' HE2' HD21 ' A' ' 7' ' ' LEU . 32.5 p90 -162.23 124.93 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.924 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.9 p -80.58 139.31 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 63.14 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' A' ' 5' ' ' TYR . 58.6 mt -95.93 161.86 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.895 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.74 -168.56 25.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 50.33 112.48 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.51 27.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 54.32 112.338 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -108.91 24.16 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.2 30.71 64.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.681 -0.771 . . . . 34.32 112.496 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -85.02 117.93 24.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 75.33 110.929 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 48.5 mtm-85 -70.49 144.64 51.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 71.01 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -144.43 105.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.189 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.36 100.51 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.885 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -130.34 26.42 5.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 70.14 111.112 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.16 -25.89 48.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 73.55 110.968 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.22 33.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 65.42 110.911 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -52.08 -30.5 26.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 51.44 110.91 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 p -127.39 150.05 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 65.13 111.14 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -98.96 176.27 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 71.55 111.099 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.94 161.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.937 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -115.48 77.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 70.41 110.865 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.01 118.13 4.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 24.12 112.469 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -115.15 168.41 9.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 61.23 110.863 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -133.1 145.92 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.148 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -137.47 163.24 31.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 73.33 111.181 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -86.69 176.65 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 73.25 110.904 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -153.31 154.32 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 65.43 110.868 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.86 152.5 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 52.4 111.152 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -163.4 68.47 1.74 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.614 0.721 . . . . 70.24 110.787 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 175.0 8.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 73.05 112.346 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.83 129.13 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 53.43 111.11 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.95 176.83 10.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -98.85 147.34 25.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 64.32 110.836 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -62.84 160.53 36.27 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 62.33 110.88 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -24.58 29.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 61.3 112.334 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -92.93 13.0 21.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.855 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -85.03 -22.81 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.922 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -77.36 -4.38 44.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.889 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -51.78 -30.34 22.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.864 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.3 p -159.88 112.81 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 63.11 110.869 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.582 ' O ' HG12 ' A' ' 46' ' ' VAL . 64.5 mtp180 -83.95 -27.12 28.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 72.13 110.885 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -55.14 -26.52 39.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -51.96 -31.45 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.25 110.856 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 43' ' ' ARG . 10.7 p -55.35 -30.38 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 65.45 111.091 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 m -60.79 143.41 54.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 63.21 111.192 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.38 156.02 16.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 71.55 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.75 -74.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.45 110.887 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.44 133.8 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 35.22 110.865 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -113.04 134.94 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 53.44 110.905 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -116.83 -30.81 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.918 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.63 -73.71 1.62 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.823 -0.703 . . . . 60.41 112.427 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.9 tp -120.27 108.93 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 63.33 110.92 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 m -50.94 156.38 1.71 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.613 0.72 . . . . 75.22 111.103 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 160.26 50.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.577 2.185 . . . . 75.22 112.38 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.33 -67.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.694 -0.765 . . . . 74.35 112.458 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 60.5 110.861 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 63.32 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.8 mp -79.26 148.29 32.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.911 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.559 ' HB2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.46 21.55 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 54.35 110.869 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.526 ' HE2' HD21 ' A' ' 7' ' ' LEU . 16.4 p90 -159.79 127.12 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.914 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.462 HG23 ' HB ' ' A' ' 16' ' ' THR . 71.2 p -84.5 138.66 32.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 64.15 111.14 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.526 HD21 ' HE2' ' A' ' 5' ' ' TYR . 55.8 mt -96.62 162.02 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 54.41 110.896 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.42 -171.35 33.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 72.43 112.475 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -17.21 37.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.232 . . . . 63.53 112.365 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.0 -22.06 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.93 16.21 4.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 74.21 112.518 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -76.64 117.48 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 75.32 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.1 mtp-105 -64.51 147.14 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.912 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -146.93 107.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.04 111.129 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -57.53 99.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.93 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.614 HG22 ' HD3' ' A' ' 19' ' ' LYS . 2.7 m -128.96 25.61 5.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.484 . . . . 63.52 111.115 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 4' ' ' MET . 24.9 tp -57.36 -24.06 52.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.04 110.9 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -52.04 -29.12 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.923 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.614 ' HD3' HG22 ' A' ' 16' ' ' THR . 3.6 mptp? -63.56 152.66 38.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 63.41 110.947 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.8 t -93.2 134.22 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 60.4 111.143 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -69.83 112.17 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.223 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -87.85 113.86 23.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 65.15 110.918 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.36 -29.72 15.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.843 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.0 -164.43 24.15 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.722 -0.751 . . . . 74.12 112.52 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.81 122.72 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 62.24 110.863 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -97.15 145.26 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.139 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.6 p -86.92 162.34 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 54.11 111.154 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.44 172.41 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 73.54 110.951 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -112.76 155.27 24.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 41.22 110.827 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.68 151.79 51.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.099 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.75 160.56 80.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.646 0.736 . . . . 75.41 110.868 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -172.01 0.54 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.625 2.216 . . . . 71.24 112.332 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.15 114.41 12.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 54.11 111.154 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -53.23 131.48 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.851 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -144.15 133.95 23.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.856 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 t -165.87 73.05 1.29 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.669 0.747 . . . . 53.24 110.917 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -43.11 2.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.765 2.31 . . . . 51.53 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.25 102.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 65.25 110.8 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -85.94 -57.37 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.858 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.3 -77.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.94 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -105.87 -45.05 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.92 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 p -154.59 -169.43 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 74.11 110.857 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -28.62 64.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.882 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -51.86 -35.42 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 55.31 110.934 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -35.42 77.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.808 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -59.26 -40.77 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 65.03 111.103 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HD23 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -59.45 155.87 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 62.01 111.156 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.571 HD23 HG22 ' A' ' 47' ' ' THR . 2.1 pt? -55.47 146.0 21.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.887 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -113.62 29.12 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 72.54 110.876 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -73.46 115.17 12.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.905 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -140.88 161.69 37.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 75.4 110.894 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 57.49 42.01 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.34 110.843 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.91 58.24 4.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 75.14 112.543 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.81 -30.95 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 61.04 110.903 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.2 t 61.43 69.44 1.03 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 44.11 111.173 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 115.5 4.14 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.684 2.256 . . . . 54.33 112.314 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.82 -125.95 2.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 72.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 55.51 110.893 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.848 0.356 . . . . 55.14 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mt -117.01 161.57 19.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.45 110.941 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.9 mmt -105.04 24.1 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.834 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -165.15 129.71 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.3 p -86.33 149.25 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 74.21 111.108 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 mt -99.56 152.15 20.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 73.31 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.77 179.74 40.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 72.14 112.473 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -8.56 23.91 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.667 2.245 . . . . 75.21 112.318 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -101.67 -19.88 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.818 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.5 3.34 29.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 71.44 112.468 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -78.34 162.54 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 73.44 110.845 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.66 38.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.901 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -143.0 103.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 71.12 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -51.61 107.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.94 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -138.2 28.76 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 74.14 111.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.04 115.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -53.62 105.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.896 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -55.89 132.2 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.823 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.1 p -139.01 145.43 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 71.42 111.189 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -125.26 160.39 29.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.145 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -63.63 127.65 32.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 62.02 110.923 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -66.56 -48.16 70.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.887 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.18 42.98 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 61.32 112.445 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -100.66 119.14 38.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.815 0.341 . . . . 73.02 110.911 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -110.39 145.96 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.176 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.8 p -124.04 131.82 53.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 60.15 111.131 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -90.45 128.55 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.408 . . . . 74.41 110.915 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -95.42 109.08 21.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.868 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.16 156.08 48.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 73.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -113.72 157.35 41.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 74.04 110.849 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 161.28 46.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 74.2 112.307 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -162.1 -178.22 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 62.13 111.142 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -175.49 147.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 73.34 110.882 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -155.11 145.7 22.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 64.3 110.875 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.31 160.37 57.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.715 0.769 . . . . 75.4 110.839 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -46.93 1.05 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.755 2.304 . . . . 64.5 112.362 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -146.07 167.53 23.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.887 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.02 -22.85 28.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.875 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -77.87 -4.85 48.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.929 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -51.86 -30.19 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.952 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -51.85 128.7 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 73.43 110.924 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 46' ' ' VAL . 47.6 mtp180 -83.42 -12.97 55.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.925 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 47' ' ' THR . 11.9 pt20 -56.6 -24.33 46.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.889 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -26.83 31.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.881 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 43' ' ' ARG . 99.1 t -51.39 -39.34 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.04 111.106 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 44' ' ' GLN . 13.1 t -51.51 169.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.192 -0.458 . . . . 73.51 111.175 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt 57.29 38.22 28.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.936 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -87.0 173.33 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 71.02 110.879 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 106.95 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 63.15 110.919 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -151.4 143.87 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.3 110.873 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -124.19 108.35 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.81 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.77 32.18 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 60.05 112.449 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.3 tt -77.4 -26.52 51.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 73.24 110.896 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 t 62.2 71.22 0.74 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.568 0.699 . . . . 63.43 111.118 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.83 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 72.51 112.389 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.51 -142.03 4.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 74.42 112.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 73.21 110.897 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.898 0.38 . . . . 75.05 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.77 165.01 18.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.963 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.3 mmt -101.49 26.06 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.901 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -165.0 133.89 3.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.956 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 p -85.05 161.19 19.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 73.42 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.3 mt -107.79 164.24 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 64.03 110.977 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.02 -168.34 28.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.687 -0.768 . . . . 72.35 112.494 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -21.39 33.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.739 2.293 . . . . 60.31 112.308 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.91 -20.63 13.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.827 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.17 15.78 4.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.85 -0.691 . . . . 64.43 112.524 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.85 129.6 35.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 74.21 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -71.6 148.92 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.602 HG22 HG23 ' A' ' 16' ' ' THR . 68.0 mt -148.84 103.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.42 111.163 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -51.43 103.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.957 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.602 HG23 HG22 ' A' ' 14' ' ' ILE . 49.8 p -136.7 22.27 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 74.52 111.098 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 18' ' ' LYS . 4.0 pp -51.53 -39.59 58.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 64.22 110.914 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 17' ' ' LEU . 15.6 ttpt -58.89 134.01 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.904 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -60.02 128.62 37.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 72.11 110.969 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.92 144.24 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 74.32 111.176 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -127.61 162.3 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.118 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -102.6 24.44 10.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 52.74 29.19 7.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 51.03 110.857 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.13 40.31 95.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.712 . . . . 44.34 112.447 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.84 140.86 29.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 75.24 110.857 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -52.95 142.15 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 75.22 111.128 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -86.35 135.4 33.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 73.52 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 -25.91 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 62.02 110.868 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -100.29 27.28 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.817 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.95 -65.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 50.52 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -51.7 156.8 2.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 52.42 110.886 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 52.4 112.314 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.78 122.21 42.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 61.2 111.067 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -165.86 126.98 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -57.29 -57.55 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 64.2 110.866 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.82 160.31 1.05 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.653 0.739 . . . . 72.1 110.887 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -43.91 2.44 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.651 2.234 . . . . 71.5 112.352 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.28 140.09 52.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.853 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -84.26 -22.98 30.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.811 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -82.14 0.5 40.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -51.86 -31.58 28.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 74.22 110.858 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -73.36 108.46 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 53.34 110.817 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -74.36 -27.04 60.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 65.32 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.45 -26.07 68.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -53.63 -30.11 41.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.2 t -74.38 -45.36 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 52.12 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.6 133.4 54.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.076 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.43 133.12 55.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.922 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -79.62 134.04 36.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.914 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -120.14 108.31 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.915 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -113.16 -33.25 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.63 116.23 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.877 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.51 23.17 2.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 64.03 112.436 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.566 HD12 ' HD3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -117.04 148.05 41.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 52.24 110.945 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.04 70.44 63.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 63.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.566 ' HD3' HD12 ' A' ' 54' ' ' LEU . 53.6 Cg_endo -69.76 -20.19 35.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 75.41 112.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.52 73.41 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 42.12 112.512 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 72.03 110.957 -179.894 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 74.33 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -81.02 57.36 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.95 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.7 mtt -95.72 33.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.3 110.898 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -162.62 123.51 2.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 64.31 110.958 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -79.16 150.05 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 70.42 111.188 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 13' ' ' ARG . 58.5 mt -103.88 164.43 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.912 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.98 -171.9 31.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 40.12 112.497 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.93 36.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 73.01 112.336 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.11 -18.82 13.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.835 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.07 16.26 4.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 63.04 112.534 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -72.01 117.74 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 61.12 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 43.3 mtm180 -72.26 145.26 48.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 54.31 110.919 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.65 110.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.418 . . . . 73.3 111.094 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -77.11 63.95 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.924 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.585 ' C ' HD23 ' A' ' 17' ' ' LEU . 9.8 t -93.66 12.34 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 75.03 111.108 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 ' C ' ' A' ' 16' ' ' THR . 0.9 OUTLIER 41.21 38.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 64.41 110.964 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -58.57 103.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.905 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.39 -53.55 56.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.878 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 p -89.06 142.73 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 54.11 111.168 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -126.2 165.52 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.43 111.192 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -95.54 116.67 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 71.52 110.84 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 t -99.56 26.95 5.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 70.33 110.815 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.07 79.8 1.83 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.776 -0.726 . . . . 71.15 112.52 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -106.71 -30.77 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 73.2 110.907 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.7 tt -108.35 145.8 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.21 111.078 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 t -152.34 149.02 28.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 74.2 111.101 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -102.03 139.84 37.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.913 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -152.09 137.17 17.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.83 -60.01 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.41 111.149 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -153.1 160.57 30.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.6 0.714 . . . . 75.03 110.847 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 135.89 31.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 63.11 112.384 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.7 116.05 11.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 73.05 111.101 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -54.33 131.24 41.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.85 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.13 -58.08 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.54 110.897 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -168.53 160.57 8.72 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 43.12 110.879 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -34.03 15.34 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.743 2.295 . . . . 74.44 112.347 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -126.79 140.93 52.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.934 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -84.32 -23.0 30.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.424 . . . . 73.21 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.01 -31.86 20.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.46 -25.11 49.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 75.33 110.919 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -80.35 -29.74 37.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 73.35 110.917 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -73.51 -27.32 61.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 75.42 110.858 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.0 -46.31 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 73.13 110.888 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -51.78 -32.2 30.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 64.45 110.877 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.98 -41.4 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 64.3 111.062 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.52 113.56 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 75.52 111.112 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.87 -7.68 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 53.52 110.879 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -51.62 -30.04 19.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 54.53 110.947 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -51.66 109.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.907 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -113.26 -26.33 8.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.43 110.821 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 58.15 35.86 25.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.03 110.916 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.66 39.05 3.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 53.11 112.476 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.2 tp -55.51 -67.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 72.34 110.92 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.4 t -149.06 74.74 9.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 74.5 111.143 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.69 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.25 . . . . 71.11 112.301 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.84 -84.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.72 . . . . 71.23 112.463 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 74.11 110.919 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.861 0.363 . . . . 54.02 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.56 134.82 46.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.24 21.67 10.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 65.54 110.816 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -165.07 128.71 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 65.55 110.959 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 18' ' ' LYS . 28.2 p -85.22 141.52 30.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.137 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.9 mt -91.98 151.75 20.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.75 -179.66 43.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.486 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -8.52 23.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 72.52 112.292 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -104.22 -20.72 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 71.12 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.14 2.87 24.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 34.04 112.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.15 160.23 30.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.75 0.309 . . . . 64.22 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.26 145.81 38.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.909 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -140.96 88.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.14 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -51.79 104.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.01 110.9 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -133.37 8.76 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 61.04 111.156 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER 50.98 30.89 5.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 71.33 110.911 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HB2' HG23 ' A' ' 6' ' ' THR . 7.0 mttp -61.71 100.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.896 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -57.6 110.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.91 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 p -77.67 144.2 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 74.34 111.136 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.1 m -81.14 118.78 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 71.34 111.113 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -74.5 142.57 44.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 64.14 110.882 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -67.11 -50.79 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 71.14 110.858 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 176.41 51.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 75.41 112.518 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -104.08 167.16 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 61.1 110.831 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -127.03 140.94 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 51.14 111.124 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -103.36 145.93 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 71.24 111.127 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -70.13 114.75 8.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 75.05 110.875 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -107.04 30.92 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 54.44 110.877 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.84 146.55 39.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 75.35 111.092 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -119.18 160.54 40.8 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.528 0.68 . . . . 74.34 110.909 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 172.04 13.32 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.709 2.273 . . . . 72.14 112.352 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 102.81 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 64.15 111.073 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -59.78 153.18 21.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.823 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -114.05 132.96 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 70.34 110.878 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -149.42 73.39 9.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.687 0.756 . . . . 72.24 110.892 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -9.2 25.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 72.45 112.388 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -91.52 12.97 19.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 63.03 110.936 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -78.8 -22.88 45.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 65.35 110.854 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -74.18 -29.64 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -69.27 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 72.2 110.946 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 t -83.36 1.74 39.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 43.23 110.824 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -5.56 59.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -57.59 -23.8 52.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 61.23 110.935 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -39.91 64.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 62.1 110.877 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 t -77.2 -45.84 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 71.24 111.071 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.447 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.4 m -59.78 134.91 57.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.2 111.206 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -166.82 117.07 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 73.32 110.921 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -114.01 -32.48 6.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 71.34 110.934 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -57.45 -179.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 71.53 110.889 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.98 36.02 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 74.13 110.913 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -51.71 -30.22 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.841 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.37 66.14 2.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 75.21 112.503 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.78 -32.35 65.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.901 0.382 . . . . 74.31 110.904 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t 58.67 72.73 0.8 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 74.54 111.126 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 118.3 5.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.614 2.21 . . . . 74.05 112.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.47 -116.0 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 74.22 112.497 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 71.23 110.857 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.872 0.368 . . . . 74.33 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.4 mp -76.8 146.63 37.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.896 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -106.94 38.78 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.916 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -165.03 139.27 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -90.67 142.4 27.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 72.11 111.148 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt -91.18 154.47 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 64.22 110.929 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.64 -178.95 38.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 75.33 112.456 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.36 23.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 54.32 112.357 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -104.76 -20.41 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 70.22 110.848 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.39 2.85 26.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.2 112.451 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -76.49 164.28 26.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 41.21 110.89 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 141.32 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.855 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.51 115.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 53.41 111.116 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -57.46 99.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 75.55 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.72 HG22 ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -144.43 24.49 1.57 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.071 -0.513 . . . . 71.54 111.098 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -59.82 121.9 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 64.13 110.926 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' N ' HD13 ' A' ' 17' ' ' LEU . 11.8 ttpp 51.77 39.46 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.918 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.72 ' HB3' HG22 ' A' ' 16' ' ' THR . 9.7 ptmt -52.32 -30.12 26.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 62.41 110.937 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.37 127.21 29.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 75.52 111.131 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -89.15 95.71 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 63.35 111.08 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -51.79 136.03 28.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.192 -0.458 . . . . 63.12 110.859 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -112.03 -25.08 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 71.31 110.86 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.19 -62.37 5.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.704 . . . . 62.54 112.388 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -107.16 147.05 30.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 50.22 110.834 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 tt -141.91 144.38 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.41 111.074 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 t -128.17 133.22 48.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 63.52 111.096 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -160.73 155.52 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.944 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -80.35 173.31 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 62.12 110.845 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.62 155.77 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 65.11 111.135 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -128.55 71.43 80.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 72.14 110.859 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.43 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.762 2.308 . . . . 73.04 112.339 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -154.78 140.74 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 71.41 111.049 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -167.46 168.96 12.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.872 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -107.18 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.861 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -118.68 69.0 8.5 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.68 0.752 . . . . 55.44 110.891 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -16.93 38.0 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.734 2.289 . . . . 72.15 112.318 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -91.57 12.86 19.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 63.21 110.857 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.81 -22.91 64.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.865 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.87 -32.79 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.91 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.23 -26.26 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.944 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 t -96.03 26.13 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 54.14 110.853 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 46' ' ' VAL . 9.6 ptm180 -65.7 -27.05 68.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -56.38 -25.47 49.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 65.13 110.893 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -51.98 -30.13 23.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 64.42 110.847 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.611 HG23 ' H ' ' A' ' 48' ' ' LEU . 34.0 m -51.68 -29.91 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 62.34 111.12 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.6 m 49.12 32.47 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.195 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.611 ' H ' HG23 ' A' ' 46' ' ' VAL . 23.7 mt -56.24 110.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.938 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -95.83 26.58 3.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.922 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -103.3 26.04 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 70.13 110.898 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -81.14 157.32 25.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.879 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HB3' HD13 ' A' ' 54' ' ' LEU . 48.8 m-85 -52.38 -68.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 65.23 110.838 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.31 27.78 25.5 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.765 -0.731 . . . . 75.05 112.501 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 52' ' ' PHE . 6.5 mp -68.23 151.32 47.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.909 0.385 . . . . 52.33 110.922 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.94 157.63 69.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.654 0.74 . . . . 72.11 111.077 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.43 32.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.719 2.28 . . . . 65.43 112.297 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.84 -124.59 5.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 35.53 112.488 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 62.42 110.974 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 74.34 110.866 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.8 mt -150.34 131.4 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 ttm -122.34 25.9 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 63.01 110.838 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 13' ' ' ARG . 34.0 p90 -157.53 136.1 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.962 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.451 HG23 HD13 ' A' ' 17' ' ' LEU . 47.5 p -91.17 162.09 14.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 55.11 111.117 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.39 158.04 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 61.12 110.965 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.83 179.48 30.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 54.3 112.454 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 63.33 112.374 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -104.64 -18.51 14.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 62.11 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.43 3.29 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 74.32 112.491 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -88.21 131.19 34.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 74.54 110.895 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 13.9 ptt85 -80.33 161.62 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.94 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -151.28 122.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.146 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -58.13 -175.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 70.22 110.879 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m 67.22 45.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 60.22 111.172 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD13 HG23 ' A' ' 6' ' ' THR . 9.9 tp -51.2 -57.51 8.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.918 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -54.25 106.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 62.14 110.855 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -52.71 -55.03 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.903 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.09 141.45 46.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 74.33 111.121 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -73.63 -54.82 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 53.41 111.145 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.44 110.92 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.931 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -57.75 -36.96 72.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 64.1 110.796 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.5 156.57 28.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 75.11 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -76.15 131.53 39.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 71.34 110.904 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.3 tt -99.34 -26.63 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.192 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -76.36 118.58 19.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 71.03 111.133 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 ptpp? -89.9 160.44 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.91 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.7 t -138.95 120.34 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 73.12 110.836 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.75 142.15 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 63.21 111.068 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -167.32 68.78 0.93 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.653 0.74 . . . . 73.32 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 87.54 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.745 2.296 . . . . 74.44 112.32 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.66 147.02 35.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 62.24 111.033 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -176.72 111.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 61.15 110.902 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -114.95 169.92 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 74.14 110.915 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -161.09 71.7 2.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.65 0.738 . . . . 72.4 110.841 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -48.26 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.717 2.278 . . . . 53.23 112.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -119.32 12.92 12.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.891 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -85.01 -22.88 28.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.861 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.82 -33.6 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 63.23 110.945 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.28 -27.63 62.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.913 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.0 p -55.38 -26.42 41.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.86 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.557 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -58.82 -26.91 64.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.903 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 47' ' ' THR . 11.0 pt20 -58.53 -23.95 59.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.04 110.926 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -54.78 -26.64 35.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.833 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 43' ' ' ARG . 95.8 t -51.5 -39.39 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.07 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 44' ' ' GLN . 13.3 t -51.53 142.85 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 71.31 111.141 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 48' ' ' LEU . 1.2 pt? -62.21 -25.03 67.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.33 111.003 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -60.14 -33.41 72.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.884 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' H ' HG23 ' A' ' 47' ' ' THR . 21.9 tptt -54.64 -28.92 50.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.925 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -80.48 135.71 36.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.903 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -86.71 -27.61 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.83 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.74 76.98 1.67 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.813 -0.708 . . . . 45.04 112.482 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tp -100.57 130.91 46.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.375 . . . . 61.24 110.916 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.6 t 53.93 70.61 1.66 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.656 0.741 . . . . 43.44 111.147 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 -172.37 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 75.41 112.366 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.77 97.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 51.23 112.526 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 72.31 110.869 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.853 0.359 . . . . 73.33 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.41 169.3 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.888 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.69 22.12 11.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 45.45 110.925 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -164.87 129.36 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.944 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -83.67 160.11 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 42.14 111.134 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.29 157.29 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.961 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.32 179.53 33.52 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 22.01 112.463 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -8.4 23.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 75.41 112.334 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -101.56 -21.87 14.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.53 110.848 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.84 4.36 24.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 73.04 112.524 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' NZ ' HD11 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -80.57 164.06 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 71.21 110.883 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 146.31 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.511 HD11 ' NZ ' ' A' ' 12' ' ' LYS . 76.1 mt -144.0 106.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 52.35 111.206 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -51.85 103.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.875 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -136.45 28.28 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 51.03 111.173 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.08 -31.18 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -52.17 -30.15 25.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.911 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -58.36 -62.02 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.04 110.929 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.96 131.15 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 50.1 111.171 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -102.37 -30.67 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.173 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.58 132.7 35.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 65.13 110.904 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -90.88 -31.64 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.888 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.75 -121.26 0.92 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.739 . . . . 70.34 112.441 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -58.52 107.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 51.11 110.864 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.4 tp -51.57 154.71 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 43.3 111.137 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.4 p 48.94 35.67 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.201 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -53.15 -32.46 47.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 55.32 110.879 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 t -124.41 165.21 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.875 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.99 162.43 19.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.08 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -54.22 160.61 2.34 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.603 0.716 . . . . 73.42 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.22 56.42 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 73.03 112.382 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' ' HD2' ' A' ' 34' ' ' ARG . . . -60.0 -29.56 68.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 65.11 111.14 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -174.57 161.5 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 65.12 110.846 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.3 104.43 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 64.1 110.821 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 p -171.03 70.08 0.51 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.675 0.75 . . . . 53.15 110.868 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.19 17.37 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.703 2.269 . . . . 72.22 112.315 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -128.75 145.95 51.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 52.03 110.899 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -84.93 -22.87 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.89 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -77.78 -4.0 44.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 64.01 110.94 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -52.81 -28.05 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.878 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 t -53.9 174.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 54.45 110.863 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -84.83 6.01 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.2 110.815 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.6 ' O ' HG22 ' A' ' 47' ' ' THR . 20.6 tt0 -66.59 -23.39 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.13 110.955 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -86.21 -39.7 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -77.23 -30.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 63.2 111.083 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 44' ' ' GLN . 12.3 t -52.4 142.07 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 53.4 111.196 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.3 tp 62.6 17.08 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 75.24 110.921 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 tttt 49.25 32.73 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.54 110.924 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -127.54 101.56 6.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.91 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -86.6 -73.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.51 110.916 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -107.74 21.51 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 71.52 110.943 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.23 -25.34 28.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 61.14 112.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 61.29 42.74 11.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 64.41 110.95 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t 63.38 68.5 0.91 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 43.13 111.114 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -173.3 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.609 2.206 . . . . 74.22 112.297 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.76 156.96 24.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 51.11 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 60.32 110.889 -179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.91 0.386 . . . . 65.33 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.92 155.89 39.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.866 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.738 ' CG ' HD22 ' A' ' 17' ' ' LEU . 5.9 ttp -134.23 22.55 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.887 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -165.32 147.74 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.944 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -96.28 138.85 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.01 111.173 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.5 157.94 20.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 61.01 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.82 -175.02 36.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 71.2 112.477 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -14.36 36.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 72.24 112.354 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.16 -24.6 14.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.916 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.81 17.65 6.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 44.02 112.479 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -90.89 143.3 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 64.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -79.6 144.32 33.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 64.3 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -142.42 98.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.158 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -53.73 104.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.877 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -148.67 30.56 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.085 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD22 ' CG ' ' A' ' 4' ' ' MET . 14.9 tp -50.95 -58.43 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.948 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.1 mttt 52.16 42.92 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.868 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -54.7 -28.05 44.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.008 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.39 149.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 42.52 111.154 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -97.13 176.88 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.35 111.135 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -124.06 23.98 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.53 110.908 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 t -78.49 59.83 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.803 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.34 -60.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 74.44 112.517 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -89.08 112.83 23.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.796 0.331 . . . . 73.24 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.8 tt -119.47 149.01 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 64.1 111.188 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -94.8 113.49 25.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.44 111.064 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.03 169.48 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 61.12 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 p 52.01 35.92 17.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.941 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.1 110.09 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 72.3 111.089 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -151.33 160.56 31.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 74.33 110.813 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 93.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.731 2.287 . . . . 73.21 112.335 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.85 -173.27 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 62.12 111.107 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -175.9 131.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.881 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -109.63 23.8 13.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.844 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m 52.93 73.31 0.96 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.685 0.755 . . . . 70.22 110.806 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.31 37.64 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 71.35 112.401 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -52.03 168.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.875 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -85.01 -22.96 28.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.867 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.36 3.21 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -51.88 -30.82 25.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 72.44 110.955 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.0 t -102.61 91.23 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 71.51 110.83 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -21.96 53.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 44.02 110.804 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -52.13 -33.13 38.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.05 110.947 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -52.2 -32.86 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.945 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.93 -40.78 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 70.23 111.12 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -53.67 132.32 40.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 63.3 111.187 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.2 mp -60.38 116.45 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 75.12 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -65.94 -32.39 73.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.14 110.92 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.54 142.47 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.847 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -82.68 -57.43 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.919 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -52.37 126.09 18.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 64.5 110.944 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.33 25.22 0.77 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 63.44 112.524 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 54' ' ' LEU . 5.2 tt -96.88 -28.12 14.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.833 0.349 . . . . 74.32 110.954 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG23 ' HD2' ' A' ' 56' ' ' PRO . 7.3 p -153.33 133.26 7.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 64.24 111.14 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 55' ' ' VAL . 53.3 Cg_endo -69.79 96.36 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 75.31 112.338 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.55 82.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 72.12 112.451 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 73.2 110.879 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.8 m80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.794 0.33 . . . . 74.45 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.14 127.43 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.4 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.0 mmt -98.38 26.32 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.816 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -161.79 123.33 2.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.28 -0.418 . . . . 71.33 110.956 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 17' ' ' LEU . 70.8 p -80.39 156.73 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 74.52 111.144 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -107.53 163.84 12.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 54.1 110.944 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.9 -176.47 32.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 71.33 112.536 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -14.19 35.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 75.52 112.334 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -108.71 -20.2 13.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.863 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.2 13.52 6.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 71.42 112.469 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.3 129.6 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 75.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -79.48 148.18 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.6 mt -144.48 122.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.108 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -73.96 170.16 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.599 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.4 p 52.62 27.26 4.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 63.51 111.16 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 16' ' ' THR . 0.9 OUTLIER 40.92 39.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.902 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -77.24 59.93 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 72.2 110.938 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -59.13 -30.71 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 70.5 110.962 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.7 t -56.57 129.38 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.121 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -124.17 156.95 35.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.151 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.9 117.58 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.907 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 t -73.08 -26.55 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 61.22 110.862 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.5 31.02 59.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 72.55 112.483 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -96.88 168.09 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 63.42 110.941 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -53.02 146.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.141 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.4 p -75.39 141.1 43.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 72.43 111.062 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -58.52 163.37 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 75.52 110.941 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.1 m -99.82 164.29 12.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 30.2 110.886 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.81 -55.31 11.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 61.32 111.066 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -104.86 160.62 25.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 65.15 110.835 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -21.61 33.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.259 . . . . 72.34 112.361 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.85 38.07 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.1 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -79.26 95.71 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.885 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -160.2 143.7 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 71.2 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m -52.05 160.54 1.16 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 73.21 110.886 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -40.05 5.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 74.51 112.37 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -156.48 150.06 24.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.92 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -79.35 -22.97 43.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.876 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -30.73 70.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.88 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.67 -25.41 53.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.907 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -78.32 106.41 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 71.25 110.902 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.57 ' O ' HG12 ' A' ' 46' ' ' VAL . 9.8 ttm180 -73.59 -26.26 60.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.871 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -57.27 -23.82 50.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -25.86 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.863 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 43' ' ' ARG . 9.3 p -52.32 -35.19 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 60.54 111.131 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.26 110.55 20.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 75.53 111.145 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -153.34 103.26 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.931 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.95 41.59 23.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.898 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.01 154.95 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 65.51 110.902 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -151.97 156.35 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 44.3 110.922 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -69.79 -69.71 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.867 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.12 -75.22 1.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.706 -0.759 . . . . 72.04 112.458 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.03 136.32 48.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.87 0.367 . . . . 42.12 110.887 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.5 t -141.24 73.8 25.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.697 0.761 . . . . 73.21 111.186 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 150.84 68.92 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 64.43 112.308 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.63 89.44 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 64.33 112.459 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 73.45 110.958 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.821 0.343 . . . . 64.55 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.5 mt -87.76 132.02 34.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 51.12 110.852 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.6 mtm -112.97 22.91 13.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 72.34 110.849 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.637 ' HA ' HG22 ' A' ' 16' ' ' THR . 17.9 p90 -165.12 128.83 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.938 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.823 HG23 HG21 ' A' ' 16' ' ' THR . 17.0 p -80.69 143.06 33.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 62.41 111.124 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.545 HD21 ' HE2' ' A' ' 5' ' ' TYR . 57.1 mt -103.33 144.81 30.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 75.23 110.893 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.4 -165.65 41.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 52.24 112.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.97 24.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.582 2.188 . . . . 54.11 112.425 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -109.06 23.62 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 53.24 110.888 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.57 19.46 71.07 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.691 -0.766 . . . . 75.11 112.511 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -67.32 107.61 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 71.4 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' HD23 ' A' ' 7' ' ' LEU . 52.2 mtt-85 -71.47 144.18 49.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.872 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -145.75 109.29 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 64.21 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -52.27 116.38 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.4 110.894 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.823 HG21 HG23 ' A' ' 6' ' ' THR . 13.8 t -139.08 23.77 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 74.53 111.132 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 pp -51.96 -32.07 31.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.903 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.738 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -53.69 -30.22 42.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.86 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -52.53 117.33 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.916 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 18' ' ' LYS . 47.7 t -135.56 139.2 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 71.11 111.182 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -102.47 -24.63 13.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.23 111.119 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 51.72 66.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 74.14 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.5 m -95.54 25.05 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 75.34 110.833 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.46 -134.6 7.23 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 55.24 112.518 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -157.85 122.25 4.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 64.42 110.823 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -131.2 142.93 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 70.12 111.125 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -161.85 166.52 26.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 73.33 111.111 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -130.47 114.09 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 t -138.79 166.25 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 54.12 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.14 173.66 11.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 72.53 111.105 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -169.8 71.85 0.65 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.583 0.706 . . . . 72.43 110.874 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.6 9.28 Favored 'Trans proline' 0 C--O 1.23 0.103 0 C-N-CA 122.738 2.292 . . . . 61.33 112.299 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.27 109.97 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.21 111.06 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.01 118.46 4.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.879 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -114.43 173.15 6.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 62.24 110.891 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.6 p -50.94 108.9 1.15 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.671 0.748 . . . . 51.2 110.848 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.65 7.46 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.683 2.255 . . . . 72.0 112.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -65.74 120.55 13.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.905 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -84.99 -22.9 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.895 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -2.36 41.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.889 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -51.49 -31.14 22.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 73.25 110.901 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -96.04 36.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 74.24 110.937 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.5 ptm180 -70.19 -25.06 63.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 71.24 110.874 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -54.95 -26.41 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 64.25 110.984 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -52.0 -31.62 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 71.12 110.872 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 43' ' ' ARG . 99.3 t -52.06 -40.76 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 75.11 111.183 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -57.73 161.53 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 70.01 111.123 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.72 120.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 75.33 111.016 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 118.13 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 73.32 110.876 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -114.56 -30.12 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.944 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -57.58 147.56 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.941 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -81.18 -34.03 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.03 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.99 33.54 79.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 61.52 112.477 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.99 -27.88 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 72.42 110.87 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t 59.66 69.42 1.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 73.54 111.105 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 -17.51 37.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 41.24 112.347 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 111.97 143.76 9.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 73.04 112.446 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.744 0.307 . . . . 72.54 110.856 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.833 0.349 . . . . 75.14 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -113.26 160.09 18.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 73.55 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.6 mtt -106.16 25.31 11.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.868 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.496 ' CE2' HD21 ' A' ' 7' ' ' LEU . 16.4 p90 -165.07 133.13 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 75.12 110.898 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -80.67 160.59 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 63.4 111.112 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.496 HD21 ' CE2' ' A' ' 5' ' ' TYR . 56.8 mt -118.25 152.96 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.875 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -165.14 32.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 51.43 112.501 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -30.49 21.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.575 2.183 . . . . 64.35 112.347 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -109.11 24.06 13.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.03 110.849 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.09 20.4 67.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 74.55 112.482 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.53 108.7 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 75.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -72.06 144.79 48.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.44 110.859 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.2 mt -145.25 106.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.13 111.156 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -61.99 98.21 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.862 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -126.5 24.57 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 64.52 111.085 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.84 -31.62 28.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 64.51 110.861 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -52.01 -31.4 29.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 51.31 110.86 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -55.44 116.43 2.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 70.31 110.948 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -103.96 151.75 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 75.14 111.157 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -104.81 175.24 5.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 62.14 111.16 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -116.99 84.79 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 75.15 110.843 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t 55.37 25.89 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 60.44 110.847 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.33 -144.64 34.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 74.32 112.432 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -150.05 108.33 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 72.01 110.893 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.7 mm -74.27 -47.01 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.2 111.028 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.9 p -124.31 130.29 52.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.166 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -73.97 128.36 35.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.31 110.91 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.7 p -89.25 152.31 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.81 155.89 16.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 61.31 111.116 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -69.75 160.62 79.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 73.24 110.863 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -16.48 37.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.608 2.205 . . . . 71.24 112.378 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.86 121.09 9.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 63.03 111.174 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -76.74 64.61 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 65.3 110.93 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -130.14 126.8 38.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.912 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.33 160.56 45.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.691 0.758 . . . . 64.44 110.833 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -26.39 28.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 61.11 112.377 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 64.22 15.28 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.25 -22.99 41.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.5 110.834 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -66.7 -30.01 70.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.901 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -58.91 -22.79 60.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.939 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -51.86 126.78 19.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 75.55 110.889 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' HG12 ' A' ' 46' ' ' VAL . 15.1 ptm180 -84.4 3.63 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.834 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.597 ' O ' HG22 ' A' ' 47' ' ' THR . 8.3 tp-100 -69.94 -23.59 63.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.86 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -38.45 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.908 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 43' ' ' ARG . 9.7 p -77.01 -30.53 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 72.33 111.148 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 44' ' ' GLN . 12.6 t -54.27 -26.88 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 74.54 111.098 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.609 HD22 ' HG3' ' A' ' 51' ' ' ARG . 96.0 mt -154.77 104.0 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 61.54 110.903 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -107.66 -32.4 7.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.892 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -90.22 -65.15 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.905 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HG3' HD22 ' A' ' 48' ' ' LEU . 13.5 ptp180 -81.82 162.04 22.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 63.5 110.827 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -131.42 129.87 41.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.879 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 59.23 5.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 72.32 112.463 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mt -114.45 -28.46 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 71.32 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.442 HG23 ' HD2' ' A' ' 56' ' ' PRO . 7.3 p -155.56 133.16 6.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.589 0.709 . . . . 73.44 111.13 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 55' ' ' VAL . 52.7 Cg_endo -69.83 -40.98 4.58 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.635 2.223 . . . . 74.41 112.279 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.59 156.89 31.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.783 -0.722 . . . . 52.32 112.516 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 61.14 110.867 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.9 m80 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.817 0.342 . . . . 74.31 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mt -73.0 174.73 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.903 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.4 ' HB2' HD22 ' A' ' 17' ' ' LEU . 5.2 ptm -119.71 21.58 11.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 75.01 110.865 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -165.04 134.57 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 63.31 110.886 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -79.76 164.47 23.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 61.25 111.133 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.4 mt -112.23 152.48 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.52 -165.25 36.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.709 . . . . 62.3 112.462 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.6 16.04 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.635 2.223 . . . . 75.41 112.326 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.1 24.33 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 51.21 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.68 31.38 50.01 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.717 -0.754 . . . . 71.13 112.404 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -87.61 111.51 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 74.34 110.858 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.85 144.53 48.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 70.23 110.861 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -146.91 106.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 44.11 111.102 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -53.98 101.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 64.41 110.908 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -138.69 25.36 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 65.3 111.171 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 4' ' ' MET . 29.4 tp -55.32 120.46 7.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.916 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -55.47 -36.2 66.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.848 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -61.57 114.66 3.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.898 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 p -130.61 135.34 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 71.21 111.118 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -89.01 124.88 34.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 45.03 111.124 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.25 132.69 35.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 70.43 110.967 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -89.83 -28.92 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.92 115.19 0.52 Allowed Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.699 -0.762 . . . . 75.1 112.459 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -51.11 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 74.15 110.89 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.1 mt -88.47 131.69 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 45.22 111.084 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.0 t -103.27 -30.78 10.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 44.25 111.118 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 177.3 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.845 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -152.55 109.08 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.877 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.36 157.29 37.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 50.52 111.107 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -166.62 71.74 1.11 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.554 0.693 . . . . 70.54 110.823 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 90.02 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 53.15 112.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.42 -62.36 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 55.24 111.123 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.63 125.11 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.838 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -156.83 141.15 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -120.9 160.52 44.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.664 0.745 . . . . 74.52 110.895 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -43.66 2.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.723 2.282 . . . . 73.44 112.38 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -113.69 132.8 55.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.861 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -85.17 -22.68 28.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.84 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.03 -5.79 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 62.22 110.919 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -52.3 -29.54 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.945 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 p -59.57 104.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 75.31 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.23 -25.75 42.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 73.13 110.901 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -46.58 65.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.32 110.887 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -31.98 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.11 -53.94 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.03 111.136 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -62.53 159.09 16.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 75.23 111.081 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.72 127.43 31.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.936 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -84.77 128.57 34.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 63.14 110.924 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -100.09 163.93 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.901 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -87.17 132.37 33.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.868 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.37 -28.15 21.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 52.1 110.863 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.83 78.2 1.4 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.783 -0.723 . . . . 71.35 112.52 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.5 -74.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 74.51 110.933 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -144.93 125.23 7.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.547 0.689 . . . . 74.33 111.178 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 134.83 29.12 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.272 . . . . 74.41 112.396 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.37 32.06 3.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 55.34 112.439 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 50.44 110.905 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.848 0.356 . . . . 71.34 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -80.05 165.15 22.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.867 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.448 ' HG3' HD23 ' A' ' 17' ' ' LEU . 1.4 mpt? -99.28 26.2 6.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.948 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.416 ' HE2' HD21 ' A' ' 7' ' ' LEU . 34.8 p90 -164.44 124.53 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.965 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.447 HG23 ' OG1' ' A' ' 16' ' ' THR . 38.0 p -82.18 139.58 34.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 42.34 111.182 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD21 ' HE2' ' A' ' 5' ' ' TYR . 54.3 mt -93.77 164.9 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.877 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.86 -177.93 29.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.711 . . . . 73.55 112.54 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -10.31 28.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 64.34 112.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -108.65 -21.52 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.2 110.929 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.6 16.53 6.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 35.32 112.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.93 137.2 33.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 75.24 110.918 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HA ' HD23 ' A' ' 7' ' ' LEU . 31.6 mtm180 -78.34 145.2 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.909 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.7 mt -143.23 104.24 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -53.05 105.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.447 ' OG1' HG23 ' A' ' 6' ' ' THR . 5.8 p -132.51 24.05 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 75.42 111.175 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 17' ' ' LEU . 3.3 tm? -51.82 -45.9 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 54.05 110.856 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.02 132.78 55.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 73.04 110.852 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -57.85 134.41 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.945 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.01 120.67 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 65.13 111.12 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -103.99 -38.95 6.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 74.22 111.196 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -87.07 137.56 32.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -120.93 33.83 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 60.22 110.83 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.58 -157.17 37.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.802 -0.713 . . . . 41.22 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -103.67 128.39 51.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 54.42 110.919 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.01 134.81 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 73.23 111.078 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -57.77 160.95 4.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 71.4 111.168 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -93.59 -30.45 14.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.911 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -121.77 123.66 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.3 110.817 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.76 109.4 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 75.24 111.078 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 t60 60.75 68.41 1.31 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.613 0.721 . . . . 63.21 110.854 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -18.85 37.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.754 2.303 . . . . 75.44 112.384 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 55.88 44.53 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 74.34 111.034 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -60.47 134.41 57.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.909 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -135.79 136.19 40.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.899 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.01 160.33 0.12 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 63.45 110.863 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -43.75 2.45 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.717 2.278 . . . . 73.5 112.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.6 t70 64.21 15.24 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -75.22 -22.97 57.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -93.03 -36.3 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.841 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.65 -26.5 68.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.302 -0.408 . . . . 74.4 110.878 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -67.63 138.04 56.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 62.31 110.861 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -83.7 -25.52 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 63.11 110.879 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -53.51 -28.77 32.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -61.36 -28.91 69.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 62.11 110.89 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.3 t -76.19 -41.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 71.41 111.056 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.69 176.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.24 111.182 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.598 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.6 pp -168.71 132.33 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.44 110.909 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -80.47 124.92 29.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.925 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -128.71 111.89 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 70.43 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -132.41 149.02 52.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.858 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -97.13 -55.36 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.859 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.57 -48.65 3.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 61.01 112.495 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.1 tp -106.67 131.92 53.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 54.2 110.885 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' HD2' ' A' ' 56' ' ' PRO . 7.3 p -122.28 133.28 24.3 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.647 0.737 . . . . 70.43 111.096 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 55' ' ' VAL . 53.8 Cg_endo -69.78 127.69 14.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 72.02 112.359 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.43 -152.92 29.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 42.32 112.503 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 71.13 110.873 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.1 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 74.13 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -165.03 141.11 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.42 110.879 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.8 p -90.68 138.84 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.25 111.147 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 13' ' ' ARG . 59.1 mt -91.98 160.27 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.927 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.41 -174.95 35.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 24.01 112.529 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.82 33.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 75.34 112.353 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.5 -22.04 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.831 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.66 17.44 5.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 34.44 112.476 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -82.83 131.05 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 73.44 110.985 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HA ' HD23 ' A' ' 7' ' ' LEU . 71.0 mtt180 -74.89 145.06 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 64.34 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.8 mt -143.83 108.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.35 111.139 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.927 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.815 0.34 . . . . 72.21 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 7' ' ' LEU . 13.3 p90 -164.75 131.61 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.898 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.7 p -83.42 142.35 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.145 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 5' ' ' TYR . 51.6 mt -93.86 167.08 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 65.4 110.919 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.49 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 64.22 112.475 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.54 35.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 74.14 112.343 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.48 -23.88 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 60.13 110.923 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.54 17.6 4.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 50.44 112.525 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -80.19 117.53 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 62.15 110.87 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.63 148.66 28.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.88 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -147.79 110.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 74.55 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 64.55 110.928 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 71.13 110.919 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -155.22 123.89 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.933 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 p -81.48 147.3 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 72.32 111.159 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 13' ' ' ARG . 51.7 mt -97.79 160.52 14.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 62.53 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.95 -174.59 37.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.495 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -15.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 54.25 112.301 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -109.01 -21.52 12.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.845 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.73 17.4 4.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 62.33 112.505 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.59 125.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 63.43 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HA ' HD23 ' A' ' 7' ' ' LEU . 62.4 mtt-85 -73.38 146.45 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 70.21 110.844 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.72 99.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 75.32 111.066 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.883 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.787 0.327 . . . . 62.13 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -165.2 129.24 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.987 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -81.55 155.62 25.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 62.4 111.203 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.9 mt -103.67 155.94 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.926 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.97 -179.37 37.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 52.25 112.449 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 71.04 112.385 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -105.61 -20.54 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 65.22 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.46 3.82 23.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 44.02 112.451 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -76.15 164.35 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.332 . . . . 75.43 110.897 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.54 144.49 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.842 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.2 mt -144.02 102.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 62.24 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 64.01 110.937 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 71.43 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -165.19 133.83 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.949 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.1 p -79.82 164.57 23.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 65.24 111.192 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.1 mt -111.83 153.16 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.928 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.28 -165.28 35.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.742 -0.742 . . . . 41.12 112.409 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 74.31 112.342 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.06 24.55 12.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.854 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.18 32.37 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.04 112.512 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -88.66 111.04 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 65.3 110.9 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.11 145.81 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.956 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -145.81 103.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.42 111.141 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.918 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.831 0.348 . . . . 74.31 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.505 ' HE2' HD21 ' A' ' 7' ' ' LEU . 32.5 p90 -162.23 124.93 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.924 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.9 p -80.58 139.31 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 63.14 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' A' ' 5' ' ' TYR . 58.6 mt -95.93 161.86 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.895 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.74 -168.56 25.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 50.33 112.48 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.51 27.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 54.32 112.338 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -108.91 24.16 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.2 30.71 64.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.681 -0.771 . . . . 34.32 112.496 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -85.02 117.93 24.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 75.33 110.929 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 48.5 mtm-85 -70.49 144.64 51.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 71.01 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -144.43 105.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.189 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.885 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.803 0.335 . . . . 54.35 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.526 ' HE2' HD21 ' A' ' 7' ' ' LEU . 16.4 p90 -159.79 127.12 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.914 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -84.5 138.66 32.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 64.15 111.14 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.526 HD21 ' HE2' ' A' ' 5' ' ' TYR . 55.8 mt -96.62 162.02 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 54.41 110.896 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.42 -171.35 33.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 72.43 112.475 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -17.21 37.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.232 . . . . 63.53 112.365 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.0 -22.06 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.93 16.21 4.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 74.21 112.518 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -76.64 117.48 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 75.32 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.1 mtp-105 -64.51 147.14 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.912 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -146.93 107.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.04 111.129 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.93 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.691 0.282 . . . . 62.43 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -165.15 129.71 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.3 p -86.33 149.25 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 74.21 111.108 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 mt -99.56 152.15 20.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 73.31 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.77 179.74 40.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 72.14 112.473 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -8.56 23.91 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.667 2.245 . . . . 75.21 112.318 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -101.67 -19.88 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.818 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.5 3.34 29.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 71.44 112.468 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -78.34 162.54 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 73.44 110.845 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.66 38.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.901 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -143.0 103.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 71.12 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.94 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.3 mmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.81 0.338 . . . . 72.43 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -165.0 133.89 3.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.956 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 p -85.05 161.19 19.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 73.42 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.3 mt -107.79 164.24 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 64.03 110.977 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.02 -168.34 28.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.687 -0.768 . . . . 72.35 112.494 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -21.39 33.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.739 2.293 . . . . 60.31 112.308 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.91 -20.63 13.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.827 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.17 15.78 4.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.85 -0.691 . . . . 64.43 112.524 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.85 129.6 35.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 74.21 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -71.6 148.92 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.0 mt -148.84 103.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.42 111.163 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.957 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.763 0.316 . . . . 63.3 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -162.62 123.51 2.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 64.31 110.958 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -79.16 150.05 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 70.42 111.188 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 13' ' ' ARG . 58.5 mt -103.88 164.43 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.912 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.98 -171.9 31.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 40.12 112.497 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.93 36.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 73.01 112.336 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.11 -18.82 13.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.835 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.07 16.26 4.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 63.04 112.534 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -72.01 117.74 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 61.12 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 43.3 mtm180 -72.26 145.26 48.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 54.31 110.919 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.65 110.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.418 . . . . 73.3 111.094 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.924 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.804 0.335 . . . . 65.54 110.816 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -165.07 128.71 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 65.55 110.959 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.2 p -85.22 141.52 30.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.137 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.9 mt -91.98 151.75 20.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.75 -179.66 43.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.486 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -8.52 23.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 72.52 112.292 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -104.22 -20.72 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 71.12 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.14 2.87 24.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 34.04 112.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.15 160.23 30.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.75 0.309 . . . . 64.22 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.26 145.81 38.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.909 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -140.96 88.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.14 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.01 110.9 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.36 . . . . 63.21 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -165.03 139.27 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -90.67 142.4 27.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 72.11 111.148 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt -91.18 154.47 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 64.22 110.929 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.64 -178.95 38.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 75.33 112.456 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.36 23.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 54.32 112.357 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -104.76 -20.41 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 70.22 110.848 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.39 2.85 26.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.2 112.451 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -76.49 164.28 26.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 41.21 110.89 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 141.32 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.855 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.51 115.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 53.41 111.116 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 75.55 110.93 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 63.01 110.838 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 13' ' ' ARG . 34.0 p90 -157.53 136.1 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.962 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 p -91.17 162.09 14.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 55.11 111.117 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.39 158.04 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 61.12 110.965 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.83 179.48 30.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 54.3 112.454 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 63.33 112.374 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -104.64 -18.51 14.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 62.11 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.43 3.29 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 74.32 112.491 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -88.21 131.19 34.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 74.54 110.895 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 13.9 ptt85 -80.33 161.62 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.94 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -151.28 122.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.146 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 70.22 110.879 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.832 0.348 . . . . 45.45 110.925 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -164.87 129.36 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.944 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -83.67 160.11 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 42.14 111.134 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.29 157.29 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.961 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.32 179.53 33.52 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 22.01 112.463 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -8.4 23.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 75.41 112.334 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -101.56 -21.87 14.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.53 110.848 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.84 4.36 24.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 73.04 112.524 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.511 ' NZ ' HD11 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -80.57 164.06 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 71.21 110.883 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 146.31 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.511 HD11 ' NZ ' ' A' ' 12' ' ' LYS . 76.1 mt -144.0 106.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 52.35 111.206 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.875 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.9 ttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.791 0.329 . . . . 71.43 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -165.32 147.74 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.944 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -96.28 138.85 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.01 111.173 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.5 157.94 20.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 61.01 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.82 -175.02 36.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 71.2 112.477 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -14.36 36.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 72.24 112.354 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.16 -24.6 14.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.916 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.81 17.65 6.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 44.02 112.479 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -90.89 143.3 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 64.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -79.6 144.32 33.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 64.3 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -142.42 98.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.158 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.877 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.0 mmt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.721 0.296 . . . . 74.35 110.816 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -161.79 123.33 2.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.28 -0.418 . . . . 71.33 110.956 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -80.39 156.73 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 74.52 111.144 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -107.53 163.84 12.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 54.1 110.944 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.9 -176.47 32.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 71.33 112.536 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -14.19 35.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 75.52 112.334 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -108.71 -20.2 13.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.863 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.2 13.52 6.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 71.42 112.469 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.3 129.6 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 75.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -79.48 148.18 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.6 mt -144.48 122.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.108 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.925 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.6 mtm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.835 0.35 . . . . 72.34 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.545 ' HE2' HD21 ' A' ' 7' ' ' LEU . 17.9 p90 -165.12 128.83 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.938 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.0 p -80.69 143.06 33.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 62.41 111.124 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.545 HD21 ' HE2' ' A' ' 5' ' ' TYR . 57.1 mt -103.33 144.81 30.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 75.23 110.893 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.4 -165.65 41.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 52.24 112.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.97 24.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.582 2.188 . . . . 54.11 112.425 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -109.06 23.62 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 53.24 110.888 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.57 19.46 71.07 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.691 -0.766 . . . . 75.11 112.511 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -67.32 107.61 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 71.4 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' HD23 ' A' ' 7' ' ' LEU . 52.2 mtt-85 -71.47 144.18 49.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.872 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -145.75 109.29 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 64.21 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.4 110.894 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.73 0.3 . . . . 71.24 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.496 ' CE2' HD21 ' A' ' 7' ' ' LEU . 16.4 p90 -165.07 133.13 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 75.12 110.898 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -80.67 160.59 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 63.4 111.112 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.496 HD21 ' CE2' ' A' ' 5' ' ' TYR . 56.8 mt -118.25 152.96 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.875 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -165.14 32.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 51.43 112.501 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -30.49 21.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.575 2.183 . . . . 64.35 112.347 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -109.11 24.06 13.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.03 110.849 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.09 20.4 67.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 74.55 112.482 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.53 108.7 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 75.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -72.06 144.79 48.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.44 110.859 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.2 mt -145.25 106.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.13 111.156 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.862 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 ptm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.807 0.337 . . . . 75.01 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -165.04 134.57 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 63.31 110.886 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -79.76 164.47 23.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 61.25 111.133 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.4 mt -112.23 152.48 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.52 -165.25 36.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.709 . . . . 62.3 112.462 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.6 16.04 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.635 2.223 . . . . 75.41 112.326 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.1 24.33 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 51.21 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.68 31.38 50.01 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.717 -0.754 . . . . 71.13 112.404 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -87.61 111.51 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 74.34 110.858 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.85 144.53 48.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 70.23 110.861 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -146.91 106.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 44.11 111.102 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 64.41 110.908 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.839 0.352 . . . . 72.41 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.416 ' HE2' HD21 ' A' ' 7' ' ' LEU . 34.8 p90 -164.44 124.53 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.965 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 p -82.18 139.58 34.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 42.34 111.182 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD21 ' HE2' ' A' ' 5' ' ' TYR . 54.3 mt -93.77 164.9 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.877 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.86 -177.93 29.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.711 . . . . 73.55 112.54 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -10.31 28.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 64.34 112.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -108.65 -21.52 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.2 110.929 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.6 16.53 6.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 35.32 112.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.93 137.2 33.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 75.24 110.918 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HA ' HD23 ' A' ' 7' ' ' LEU . 31.6 mtm180 -78.34 145.2 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.909 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.7 mt -143.23 104.24 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.911 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 p80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.844 0.354 . . . . 72.22 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt -70.66 143.31 51.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.881 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.458 ' HB3' HD11 ' A' ' 17' ' ' LEU . 27.1 mtt -104.38 25.63 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.883 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -165.03 141.11 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.42 110.879 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.8 p -90.68 138.84 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.25 111.147 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 13' ' ' ARG . 59.1 mt -91.98 160.27 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.927 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.41 -174.95 35.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 24.01 112.529 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.82 33.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 75.34 112.353 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.5 -22.04 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.831 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.66 17.44 5.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 34.44 112.476 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -82.83 131.05 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.72 0.295 . . . . 73.44 110.985 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HA ' HD23 ' A' ' 7' ' ' LEU . 71.0 mtt180 -74.89 145.06 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 64.34 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.591 HG22 HG23 ' A' ' 16' ' ' THR . 79.8 mt -143.83 108.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.35 111.139 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -61.33 95.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.927 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.591 HG23 HG22 ' A' ' 14' ' ' ILE . 8.6 p -138.0 51.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 72.33 111.125 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 4' ' ' MET . 1.2 mt -51.68 -46.18 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.925 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 55.27 35.34 24.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.885 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -59.98 -46.43 89.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 62.52 110.897 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.84 142.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 70.12 111.07 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -55.77 -73.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.1 111.172 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.61 149.05 24.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.871 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 m -132.09 75.06 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 62.21 110.869 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.08 149.51 21.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 75.53 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -77.99 118.52 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 73.23 110.871 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.0 mt -70.34 121.43 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 75.32 111.162 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.4 p -69.65 151.33 46.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 61.12 111.139 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -70.94 138.61 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.951 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.8 p -90.52 175.06 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.03 110.8 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 55.27 47.66 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.53 111.069 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.71 160.54 76.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 65.53 110.835 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 102.77 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 73.34 112.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.02 153.96 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 62.11 111.066 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -51.98 138.35 24.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.872 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -90.14 116.36 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 41.4 110.886 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.9 t -168.52 68.53 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.649 0.738 . . . . 73.32 110.854 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.62 14.2 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.714 2.276 . . . . 71.12 112.362 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -133.63 -179.72 5.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 62.24 110.873 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -84.99 -22.72 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.894 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -13.84 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.89 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -51.48 -30.51 20.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.926 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 p -69.38 129.68 40.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 73.12 110.875 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -68.45 -26.34 65.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 61.54 110.82 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -42.53 94.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.885 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -60.21 -32.64 71.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.91 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.5 t -76.29 -40.91 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 61.12 111.162 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -57.6 133.44 55.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 73.42 111.114 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.91 175.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.944 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.45 120.4 7.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.931 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -102.67 26.78 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 74.41 110.887 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -97.19 -27.7 14.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 52.16 45.95 27.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.27 60.23 4.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 74.1 112.454 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.3 mt -81.85 166.48 19.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 73.13 110.929 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.3 t -135.46 71.97 65.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.592 0.711 . . . . 74.33 111.101 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 140.85 43.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.237 . . . . 70.55 112.331 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.15 -136.42 3.41 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.734 -0.745 . . . . 60.42 112.49 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 73.34 110.889 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.788 0.328 . . . . 71.03 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.6 mp -75.28 122.71 24.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.954 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 tpp -119.99 28.85 7.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 72.21 110.861 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 7' ' ' LEU . 13.3 p90 -164.75 131.61 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.898 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.7 p -83.42 142.35 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.145 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 5' ' ' TYR . 51.6 mt -93.86 167.08 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 65.4 110.919 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.49 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 64.22 112.475 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.54 35.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 74.14 112.343 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.48 -23.88 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 60.13 110.923 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.54 17.6 4.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 50.44 112.525 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -80.19 117.53 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 62.15 110.87 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.63 148.66 28.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.88 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.558 HG22 ' OG1' ' A' ' 16' ' ' THR . 72.7 mt -147.79 110.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 74.55 111.138 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -69.85 84.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 64.55 110.928 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.558 ' OG1' HG22 ' A' ' 14' ' ' ILE . 3.1 m -146.41 32.53 0.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 62.31 111.162 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -51.67 -49.77 61.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.942 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -51.74 143.13 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 65.54 110.933 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt 63.56 47.33 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 73.22 110.941 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.4 t -143.13 144.23 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 45.25 111.14 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -124.67 160.37 28.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.133 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -98.86 27.11 5.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 51.21 110.92 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t 52.58 32.6 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.855 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 19.68 21.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 71.55 112.515 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -75.0 -41.72 58.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 53.31 110.935 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -87.19 132.72 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 74.34 111.134 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 p -120.32 174.32 6.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 41.53 111.104 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 175.31 5.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 53.32 110.943 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -90.21 154.85 19.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 53.22 110.814 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.97 160.92 26.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 62.42 111.158 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.7 m80 58.0 73.29 0.76 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 73.33 110.88 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.82 6.25 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 70.2 112.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.06 173.57 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 72.3 111.119 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -172.39 170.66 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 65.41 110.881 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -59.33 113.86 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.87 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.9 p -177.67 70.7 0.22 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.739 0.78 . . . . 72.12 110.826 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -46.16 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 63.13 112.36 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -158.49 173.74 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 63.44 110.786 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -85.11 -22.75 28.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.839 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -86.23 5.57 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -55.87 -25.48 42.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.44 110.888 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -51.89 168.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.844 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -77.93 -16.77 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -51.71 -29.95 20.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.902 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -54.69 -29.77 53.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.907 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.23 -42.92 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 74.53 111.095 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.37 103.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 74.02 111.111 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.9 mt -56.04 -74.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.885 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 tttp 50.23 37.4 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.851 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -26.81 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.938 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 164.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 63.23 110.936 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -118.38 115.19 24.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.855 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.25 94.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 62.15 112.466 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.559 HD23 ' H ' ' A' ' 54' ' ' LEU . 1.8 pt? -118.51 141.08 48.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 64.34 110.98 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -139.54 70.1 38.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.701 0.762 . . . . 75.53 111.182 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.88 37.77 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.726 2.284 . . . . 74.43 112.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.51 -98.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 75.31 112.513 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 74.42 110.885 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.895 0.379 . . . . 73.4 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.92 144.17 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.963 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.766 ' HB2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -110.9 21.73 16.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.919 179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -155.22 123.89 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.933 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 p -81.48 147.3 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 72.32 111.159 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 13' ' ' ARG . 51.7 mt -97.79 160.52 14.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 62.53 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.95 -174.59 37.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.495 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -15.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 54.25 112.301 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -109.01 -21.52 12.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.845 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.73 17.4 4.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 62.33 112.505 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.59 125.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 63.43 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HA ' HD23 ' A' ' 7' ' ' LEU . 62.4 mtt-85 -73.38 146.45 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 70.21 110.844 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -140.72 99.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 75.32 111.066 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.13 102.39 4.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.883 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 p -137.45 9.92 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.03 111.097 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.766 HD22 ' HB2' ' A' ' 4' ' ' MET . 0.2 OUTLIER 51.23 43.77 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.915 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.72 -67.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 52.2 110.917 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -59.59 174.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 74.43 110.891 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -107.75 149.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.31 111.114 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -115.93 173.7 6.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.52 111.18 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -88.98 138.27 31.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.845 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -83.13 -48.33 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 70.34 110.879 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.5 -69.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.427 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -71.87 158.64 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 74.33 110.905 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 tt -109.65 145.82 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.121 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.8 p -107.91 125.52 51.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.123 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -107.33 -26.25 11.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.903 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -96.38 34.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.838 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.06 136.5 52.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 74.41 111.051 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 58.75 72.5 0.83 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.596 0.712 . . . . 63.14 110.855 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.45 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 63.52 112.319 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.38 72.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.41 111.04 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.53 175.37 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 63.52 110.817 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -154.01 139.65 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 75.42 110.922 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -69.06 160.5 78.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.621 0.724 . . . . 61.41 110.865 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -40.14 5.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 63.35 112.37 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -80.92 110.55 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.88 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -85.04 -22.78 28.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -6.23 49.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.93 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -51.82 -30.21 22.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.955 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -71.18 -46.35 61.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 25.52 110.855 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -84.28 3.08 37.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 74.12 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -52.26 -34.38 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -58.18 3.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 62.45 110.87 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 m -57.71 -28.88 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.32 111.103 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.575 HG22 ' HG ' ' A' ' 48' ' ' LEU . 99.7 m -61.9 -42.61 99.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 61.45 111.102 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.575 ' HG ' HG22 ' A' ' 47' ' ' THR . 96.1 mt -154.74 123.53 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 65.14 111.001 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -95.36 130.73 42.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.864 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -31.49 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 70.12 110.856 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -52.05 -50.64 61.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 71.22 110.867 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.28 -32.3 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 63.12 110.915 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.7 -74.47 2.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 54.54 112.498 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.66 179.83 4.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.849 0.356 . . . . 71.11 110.945 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.67 71.7 3.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.643 0.735 . . . . 71.2 111.164 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 148.95 66.41 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.681 2.254 . . . . 73.21 112.405 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.43 -66.25 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 63.24 112.408 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 51.42 110.903 -179.837 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.74 0.305 . . . . 74.3 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.7 mp -76.23 143.36 41.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.284 -0.416 . . . . 62.35 110.957 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.33 26.29 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 62.13 110.842 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -165.2 129.24 2.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.987 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -81.55 155.62 25.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 62.4 111.203 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.9 mt -103.67 155.94 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.926 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.97 -179.37 37.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 52.25 112.449 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -8.57 23.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.236 . . . . 71.04 112.385 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -105.61 -20.54 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 65.22 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.46 3.82 23.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 44.02 112.451 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -76.15 164.35 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.332 . . . . 75.43 110.897 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.54 144.49 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 75.41 110.842 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.2 mt -144.02 102.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 62.24 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.04 109.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 64.01 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 t -152.42 28.54 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 73.13 111.062 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.37 -31.28 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 64.12 110.88 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -66.48 102.22 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 61.24 110.905 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 139.14 25.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.914 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.73 136.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 71.12 111.115 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.3 m -83.96 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 65.43 111.164 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -68.48 124.36 23.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.845 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -92.63 -31.51 15.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 73.31 110.847 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.15 -75.45 0.29 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 54.54 112.511 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -141.81 157.25 45.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.855 0.36 . . . . 74.22 110.868 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.4 mt -119.99 132.96 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 64.15 111.116 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -112.24 157.87 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 75.44 111.21 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -141.34 165.88 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.859 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 m -110.38 159.01 17.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 73.32 110.902 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.4 158.41 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 71.43 111.046 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -171.68 71.45 0.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 64.32 110.905 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -21.73 32.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.281 . . . . 71.54 112.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.91 117.24 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 63.03 111.11 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -176.55 131.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.877 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -89.23 -55.11 3.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.847 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -173.22 72.42 0.39 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.677 0.751 . . . . 72.04 110.817 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -47.81 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 73.42 112.361 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 64.21 15.33 9.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 64.15 110.858 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.23 -22.89 60.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.827 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -1.8 41.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.86 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -51.91 -29.87 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.11 110.9 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -95.33 152.75 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.895 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -83.99 -25.2 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 74.22 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -52.0 -30.27 24.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.838 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 ttt-85 -52.11 -30.26 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 64.11 110.883 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.75 -41.27 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.01 115.35 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 73.42 111.098 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.43 117.17 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.917 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -64.06 118.79 9.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 42.15 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -79.81 -26.14 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.34 110.956 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -52.12 -63.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.876 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -56.49 104.86 0.16 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 75.44 110.81 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.65 27.72 1.92 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 61.54 112.514 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.64 150.27 20.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 75.01 110.943 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 m -135.37 71.25 67.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.646 0.736 . . . . 73.24 111.079 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -20.81 34.04 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.683 2.255 . . . . 74.1 112.294 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.08 -91.8 0.67 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 62.34 112.44 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 73.5 110.923 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 71.42 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.35 144.89 25.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 63.33 110.941 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -99.53 26.07 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.918 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -165.19 133.83 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.949 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.1 p -79.82 164.57 23.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 65.24 111.192 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.1 mt -111.83 153.16 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.928 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.28 -165.28 35.05 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.742 -0.742 . . . . 41.12 112.409 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 74.31 112.342 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.06 24.55 12.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.854 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.18 32.37 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.04 112.512 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -88.66 111.04 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 65.3 110.9 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.11 145.81 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.956 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -145.81 103.71 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.42 111.141 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -58.37 105.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -149.96 25.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 72.2 111.116 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -51.7 138.5 23.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 73.24 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -57.62 -32.95 67.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 55.05 110.88 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -60.13 135.94 57.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 63.22 110.947 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 22' ' ' GLU . 11.5 p -126.61 135.06 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 61.11 111.037 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -58.33 -37.69 75.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 75.11 111.106 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 20' ' ' VAL . 9.9 mm-40 -62.21 151.99 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 54.23 110.837 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.6 m -75.66 -40.99 55.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.83 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.58 -67.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 73.54 112.517 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.14 117.55 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 75.2 110.898 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.64 HG23 HG22 ' A' ' 27' ' ' THR . 20.2 tt -90.03 -32.55 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.1 111.075 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.64 HG22 HG23 ' A' ' 26' ' ' ILE . 2.1 t -139.88 131.27 26.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 71.03 111.138 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -99.01 126.22 44.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.888 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.87 26.57 9.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.95 149.77 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 51.54 111.099 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.0 m170 64.51 153.78 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.622 0.725 . . . . 71.14 110.83 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.5 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 71.45 112.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.46 144.89 29.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.01 111.07 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -53.85 111.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 62.34 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -56.63 163.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.88 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -79.48 160.61 69.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 34.21 110.907 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -25.52 28.16 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.75 2.3 . . . . 53.25 112.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -96.49 12.55 31.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 54.52 110.814 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -85.13 -22.63 28.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.857 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -17.95 59.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.915 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -52.05 -30.26 24.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.869 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 71.4 p -104.11 -27.92 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 72.35 110.855 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -52.09 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.853 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -51.97 -30.25 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 74.42 110.85 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -53.12 -54.38 36.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.869 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -77.07 -29.86 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 71.33 111.082 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 m -60.37 122.51 14.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 54.32 111.186 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.37 126.52 27.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 74.14 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -25.47 20.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.868 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm 52.1 29.91 6.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 63.32 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 51.21 32.43 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.927 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.65 -24.57 67.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 72.04 110.928 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.13 61.86 3.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 63.12 112.481 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.17 26.44 8.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.347 . . . . 73.51 110.898 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.7 t 52.03 68.31 3.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 74.52 111.113 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -25.36 28.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.599 2.199 . . . . 73.31 112.376 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.89 94.5 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 70.25 112.453 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 63.42 110.857 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.0 m80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.818 0.342 . . . . 53.32 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.25 171.98 10.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 44.13 110.953 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 ptp -105.41 21.72 16.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.871 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.505 ' HE2' HD21 ' A' ' 7' ' ' LEU . 32.5 p90 -162.23 124.93 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.924 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.9 p -80.58 139.31 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 63.14 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' A' ' 5' ' ' TYR . 58.6 mt -95.93 161.86 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.895 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.74 -168.56 25.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 50.33 112.48 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.51 27.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 54.32 112.338 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -108.91 24.16 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 61.33 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.2 30.71 64.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.681 -0.771 . . . . 34.32 112.496 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -85.02 117.93 24.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 75.33 110.929 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 48.5 mtm-85 -70.49 144.64 51.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 71.01 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -144.43 105.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.189 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.36 100.51 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.885 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -130.34 26.42 5.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 70.14 111.112 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.16 -25.89 48.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 73.55 110.968 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.22 33.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 65.42 110.911 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -52.08 -30.5 26.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 51.44 110.91 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 p -127.39 150.05 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 65.13 111.14 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -98.96 176.27 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 71.55 111.099 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.94 161.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.937 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -115.48 77.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 70.41 110.865 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.01 118.13 4.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 24.12 112.469 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -115.15 168.41 9.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 61.23 110.863 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -133.1 145.92 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.148 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -137.47 163.24 31.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 73.33 111.181 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -86.69 176.65 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 73.25 110.904 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -153.31 154.32 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 65.43 110.868 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.86 152.5 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 52.4 111.152 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -163.4 68.47 1.74 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.614 0.721 . . . . 70.24 110.787 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 175.0 8.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 73.05 112.346 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.83 129.13 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 53.43 111.11 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.95 176.83 10.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -98.85 147.34 25.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 64.32 110.836 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -62.84 160.53 36.27 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 62.33 110.88 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -24.58 29.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 61.3 112.334 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -92.93 13.0 21.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.855 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -85.03 -22.81 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.922 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -77.36 -4.38 44.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.889 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -51.78 -30.34 22.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.864 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.3 p -159.88 112.81 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 63.11 110.869 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.582 ' O ' HG12 ' A' ' 46' ' ' VAL . 64.5 mtp180 -83.95 -27.12 28.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 72.13 110.885 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -55.14 -26.52 39.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -51.96 -31.45 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.25 110.856 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 43' ' ' ARG . 10.7 p -55.35 -30.38 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 65.45 111.091 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 m -60.79 143.41 54.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 63.21 111.192 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.38 156.02 16.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 71.55 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.75 -74.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.45 110.887 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.44 133.8 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 35.22 110.865 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -113.04 134.94 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 53.44 110.905 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -116.83 -30.81 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.918 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.63 -73.71 1.62 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.823 -0.703 . . . . 60.41 112.427 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.9 tp -120.27 108.93 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 63.33 110.92 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 m -50.94 156.38 1.71 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.613 0.72 . . . . 75.22 111.103 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 160.26 50.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.577 2.185 . . . . 75.22 112.38 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.33 -67.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.694 -0.765 . . . . 74.35 112.458 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 60.5 110.861 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 63.32 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.8 mp -79.26 148.29 32.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.911 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.559 ' HB2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.46 21.55 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 54.35 110.869 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.526 ' HE2' HD21 ' A' ' 7' ' ' LEU . 16.4 p90 -159.79 127.12 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.914 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.462 HG23 ' HB ' ' A' ' 16' ' ' THR . 71.2 p -84.5 138.66 32.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 64.15 111.14 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.526 HD21 ' HE2' ' A' ' 5' ' ' TYR . 55.8 mt -96.62 162.02 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 54.41 110.896 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.42 -171.35 33.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 72.43 112.475 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -17.21 37.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.232 . . . . 63.53 112.365 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.0 -22.06 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.93 16.21 4.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 74.21 112.518 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -76.64 117.48 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 75.32 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.1 mtp-105 -64.51 147.14 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.912 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.4 mt -146.93 107.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.04 111.129 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -57.53 99.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.93 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.614 HG22 ' HD3' ' A' ' 19' ' ' LYS . 2.7 m -128.96 25.61 5.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.484 . . . . 63.52 111.115 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 4' ' ' MET . 24.9 tp -57.36 -24.06 52.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.04 110.9 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -52.04 -29.12 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.923 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.614 ' HD3' HG22 ' A' ' 16' ' ' THR . 3.6 mptp? -63.56 152.66 38.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 63.41 110.947 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.8 t -93.2 134.22 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 60.4 111.143 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -69.83 112.17 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.223 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -87.85 113.86 23.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 65.15 110.918 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.36 -29.72 15.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.843 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.0 -164.43 24.15 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.722 -0.751 . . . . 74.12 112.52 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.81 122.72 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 62.24 110.863 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -97.15 145.26 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.139 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.6 p -86.92 162.34 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 54.11 111.154 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.44 172.41 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 73.54 110.951 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -112.76 155.27 24.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 41.22 110.827 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.68 151.79 51.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.099 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.75 160.56 80.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.646 0.736 . . . . 75.41 110.868 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -172.01 0.54 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.625 2.216 . . . . 71.24 112.332 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.15 114.41 12.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 54.11 111.154 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -53.23 131.48 37.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.851 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -144.15 133.95 23.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.856 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 t -165.87 73.05 1.29 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.669 0.747 . . . . 53.24 110.917 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -43.11 2.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.765 2.31 . . . . 51.53 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.25 102.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 65.25 110.8 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -85.94 -57.37 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.858 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.3 -77.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.94 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -105.87 -45.05 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.92 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 p -154.59 -169.43 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 74.11 110.857 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -28.62 64.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.882 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -51.86 -35.42 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 55.31 110.934 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -35.42 77.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.808 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -59.26 -40.77 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 65.03 111.103 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HD23 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -59.45 155.87 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 62.01 111.156 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.571 HD23 HG22 ' A' ' 47' ' ' THR . 2.1 pt? -55.47 146.0 21.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.887 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -113.62 29.12 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 72.54 110.876 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -73.46 115.17 12.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.905 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -140.88 161.69 37.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 75.4 110.894 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 57.49 42.01 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.34 110.843 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.91 58.24 4.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 75.14 112.543 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.81 -30.95 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 61.04 110.903 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.2 t 61.43 69.44 1.03 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 44.11 111.173 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 115.5 4.14 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.684 2.256 . . . . 54.33 112.314 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.82 -125.95 2.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 72.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 55.51 110.893 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.848 0.356 . . . . 55.14 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mt -117.01 161.57 19.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.45 110.941 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.9 mmt -105.04 24.1 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.834 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -165.15 129.71 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.865 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.3 p -86.33 149.25 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 74.21 111.108 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 mt -99.56 152.15 20.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 73.31 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.77 179.74 40.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 72.14 112.473 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -8.56 23.91 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.667 2.245 . . . . 75.21 112.318 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -101.67 -19.88 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.0 110.818 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.5 3.34 29.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 71.44 112.468 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -78.34 162.54 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 73.44 110.845 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.66 38.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.901 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -143.0 103.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 71.12 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -51.61 107.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.94 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -138.2 28.76 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 74.14 111.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.04 115.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -53.62 105.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.896 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -55.89 132.2 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.823 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.1 p -139.01 145.43 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 71.42 111.189 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -125.26 160.39 29.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.145 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -63.63 127.65 32.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 62.02 110.923 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -66.56 -48.16 70.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.887 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.18 42.98 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 61.32 112.445 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -100.66 119.14 38.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.815 0.341 . . . . 73.02 110.911 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -110.39 145.96 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.176 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.8 p -124.04 131.82 53.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 60.15 111.131 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -90.45 128.55 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.408 . . . . 74.41 110.915 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -95.42 109.08 21.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.868 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.16 156.08 48.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 73.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -113.72 157.35 41.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 74.04 110.849 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 161.28 46.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 74.2 112.307 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -162.1 -178.22 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 62.13 111.142 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -175.49 147.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 73.34 110.882 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -155.11 145.7 22.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 64.3 110.875 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.31 160.37 57.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.715 0.769 . . . . 75.4 110.839 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -46.93 1.05 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.755 2.304 . . . . 64.5 112.362 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -146.07 167.53 23.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.887 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.02 -22.85 28.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.875 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -77.87 -4.85 48.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.929 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -51.86 -30.19 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.952 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -51.85 128.7 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 73.43 110.924 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 46' ' ' VAL . 47.6 mtp180 -83.42 -12.97 55.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 63.13 110.925 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 47' ' ' THR . 11.9 pt20 -56.6 -24.33 46.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.889 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -26.83 31.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.881 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 43' ' ' ARG . 99.1 t -51.39 -39.34 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.04 111.106 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 44' ' ' GLN . 13.1 t -51.51 169.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.192 -0.458 . . . . 73.51 111.175 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt 57.29 38.22 28.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.936 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -87.0 173.33 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 71.02 110.879 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 106.95 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 63.15 110.919 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -151.4 143.87 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.3 110.873 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -124.19 108.35 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.81 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.77 32.18 0.23 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 60.05 112.449 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.3 tt -77.4 -26.52 51.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 73.24 110.896 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 t 62.2 71.22 0.74 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.568 0.699 . . . . 63.43 111.118 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.83 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 72.51 112.389 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.51 -142.03 4.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 74.42 112.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 73.21 110.897 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.898 0.38 . . . . 75.05 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.77 165.01 18.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.963 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.3 mmt -101.49 26.06 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.901 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -165.0 133.89 3.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 64.33 110.956 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 p -85.05 161.19 19.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 73.42 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.3 mt -107.79 164.24 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 64.03 110.977 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.02 -168.34 28.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.687 -0.768 . . . . 72.35 112.494 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -21.39 33.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.739 2.293 . . . . 60.31 112.308 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.91 -20.63 13.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 72.53 110.827 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.17 15.78 4.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.85 -0.691 . . . . 64.43 112.524 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.85 129.6 35.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.738 0.304 . . . . 74.21 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -71.6 148.92 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.873 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.602 HG22 HG23 ' A' ' 16' ' ' THR . 68.0 mt -148.84 103.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.42 111.163 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -51.43 103.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.957 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.602 HG23 HG22 ' A' ' 14' ' ' ILE . 49.8 p -136.7 22.27 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 74.52 111.098 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 18' ' ' LYS . 4.0 pp -51.53 -39.59 58.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 64.22 110.914 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 17' ' ' LEU . 15.6 ttpt -58.89 134.01 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.904 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -60.02 128.62 37.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 72.11 110.969 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.92 144.24 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 74.32 111.176 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -127.61 162.3 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.118 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -102.6 24.44 10.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 52.74 29.19 7.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 51.03 110.857 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.13 40.31 95.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.712 . . . . 44.34 112.447 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.84 140.86 29.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 75.24 110.857 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -52.95 142.15 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 75.22 111.128 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -86.35 135.4 33.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 73.52 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 -25.91 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 62.02 110.868 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -100.29 27.28 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.817 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.95 -65.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 50.52 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -51.7 156.8 2.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 52.42 110.886 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 52.4 112.314 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.78 122.21 42.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 61.2 111.067 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -165.86 126.98 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.901 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -57.29 -57.55 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 64.2 110.866 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.82 160.31 1.05 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.653 0.739 . . . . 72.1 110.887 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -43.91 2.44 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.651 2.234 . . . . 71.5 112.352 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.28 140.09 52.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.853 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -84.26 -22.98 30.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.811 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -82.14 0.5 40.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -51.86 -31.58 28.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 74.22 110.858 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -73.36 108.46 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 53.34 110.817 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -74.36 -27.04 60.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 65.32 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.45 -26.07 68.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.897 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -53.63 -30.11 41.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.2 t -74.38 -45.36 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 52.12 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.6 133.4 54.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.076 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.43 133.12 55.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.922 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -79.62 134.04 36.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.914 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -120.14 108.31 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.915 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -113.16 -33.25 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.63 116.23 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.877 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.51 23.17 2.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 64.03 112.436 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.566 HD12 ' HD3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -117.04 148.05 41.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 52.24 110.945 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.04 70.44 63.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 63.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.566 ' HD3' HD12 ' A' ' 54' ' ' LEU . 53.6 Cg_endo -69.76 -20.19 35.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 75.41 112.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.52 73.41 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 42.12 112.512 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 72.03 110.957 -179.894 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 74.33 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -81.02 57.36 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.95 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.7 mtt -95.72 33.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.3 110.898 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -162.62 123.51 2.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 64.31 110.958 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -79.16 150.05 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 70.42 111.188 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 13' ' ' ARG . 58.5 mt -103.88 164.43 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.912 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.98 -171.9 31.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 40.12 112.497 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.93 36.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 73.01 112.336 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.11 -18.82 13.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.835 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.07 16.26 4.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 63.04 112.534 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -72.01 117.74 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 61.12 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 7' ' ' LEU . 43.3 mtm180 -72.26 145.26 48.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 54.31 110.919 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -140.65 110.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.418 . . . . 73.3 111.094 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -77.11 63.95 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.924 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.585 ' C ' HD23 ' A' ' 17' ' ' LEU . 9.8 t -93.66 12.34 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 75.03 111.108 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 ' C ' ' A' ' 16' ' ' THR . 0.9 OUTLIER 41.21 38.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 64.41 110.964 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -58.57 103.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.905 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.39 -53.55 56.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.878 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 p -89.06 142.73 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 54.11 111.168 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -126.2 165.52 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 71.43 111.192 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -95.54 116.67 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 71.52 110.84 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 t -99.56 26.95 5.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 70.33 110.815 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.07 79.8 1.83 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.776 -0.726 . . . . 71.15 112.52 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -106.71 -30.77 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 73.2 110.907 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.7 tt -108.35 145.8 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.21 111.078 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 t -152.34 149.02 28.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 74.2 111.101 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -102.03 139.84 37.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.913 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -152.09 137.17 17.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.83 -60.01 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.41 111.149 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -153.1 160.57 30.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.6 0.714 . . . . 75.03 110.847 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 135.89 31.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 63.11 112.384 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.7 116.05 11.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 73.05 111.101 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -54.33 131.24 41.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.85 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.13 -58.08 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 72.54 110.897 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -168.53 160.57 8.72 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 43.12 110.879 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -34.03 15.34 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.743 2.295 . . . . 74.44 112.347 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -126.79 140.93 52.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.934 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -84.32 -23.0 30.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.424 . . . . 73.21 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.01 -31.86 20.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.46 -25.11 49.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 75.33 110.919 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -80.35 -29.74 37.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 73.35 110.917 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -73.51 -27.32 61.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 75.42 110.858 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.0 -46.31 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 73.13 110.888 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -51.78 -32.2 30.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 64.45 110.877 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.98 -41.4 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 64.3 111.062 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.52 113.56 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 75.52 111.112 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.87 -7.68 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 53.52 110.879 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -51.62 -30.04 19.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 54.53 110.947 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -51.66 109.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.907 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -113.26 -26.33 8.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.43 110.821 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 58.15 35.86 25.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.03 110.916 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.66 39.05 3.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 53.11 112.476 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.2 tp -55.51 -67.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 72.34 110.92 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.4 t -149.06 74.74 9.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 74.5 111.143 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.69 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.25 . . . . 71.11 112.301 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.84 -84.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.72 . . . . 71.23 112.463 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 74.11 110.919 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.861 0.363 . . . . 54.02 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.56 134.82 46.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.24 21.67 10.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 65.54 110.816 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -165.07 128.71 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 65.55 110.959 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 18' ' ' LYS . 28.2 p -85.22 141.52 30.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.137 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.9 mt -91.98 151.75 20.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.92 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.75 -179.66 43.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.486 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -8.52 23.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 72.52 112.292 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -104.22 -20.72 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 71.12 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.14 2.87 24.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 34.04 112.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.15 160.23 30.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.75 0.309 . . . . 64.22 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.26 145.81 38.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.909 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -140.96 88.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.14 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -51.79 104.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.01 110.9 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -133.37 8.76 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 61.04 111.156 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER 50.98 30.89 5.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.248 -0.433 . . . . 71.33 110.911 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HB2' HG23 ' A' ' 6' ' ' THR . 7.0 mttp -61.71 100.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.896 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -57.6 110.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.91 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 p -77.67 144.2 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 74.34 111.136 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.1 m -81.14 118.78 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 71.34 111.113 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -74.5 142.57 44.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 64.14 110.882 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -67.11 -50.79 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 71.14 110.858 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.17 176.41 51.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 75.41 112.518 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -104.08 167.16 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 61.1 110.831 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -127.03 140.94 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 51.14 111.124 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -103.36 145.93 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 71.24 111.127 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -70.13 114.75 8.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 75.05 110.875 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -107.04 30.92 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 54.44 110.877 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.84 146.55 39.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 75.35 111.092 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -119.18 160.54 40.8 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.528 0.68 . . . . 74.34 110.909 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 172.04 13.32 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.709 2.273 . . . . 72.14 112.352 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 102.81 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 64.15 111.073 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -59.78 153.18 21.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.823 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -114.05 132.96 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 70.34 110.878 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -149.42 73.39 9.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.687 0.756 . . . . 72.24 110.892 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -9.2 25.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 72.45 112.388 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -91.52 12.97 19.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 63.03 110.936 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -78.8 -22.88 45.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 65.35 110.854 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -74.18 -29.64 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -69.27 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 72.2 110.946 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 t -83.36 1.74 39.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 43.23 110.824 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -5.56 59.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -57.59 -23.8 52.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 61.23 110.935 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -39.91 64.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 62.1 110.877 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 t -77.2 -45.84 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 71.24 111.071 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.447 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.4 m -59.78 134.91 57.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.2 111.206 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -166.82 117.07 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 73.32 110.921 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -114.01 -32.48 6.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 71.34 110.934 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -57.45 -179.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 71.53 110.889 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.98 36.02 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 74.13 110.913 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -51.71 -30.22 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.841 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.37 66.14 2.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 75.21 112.503 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.78 -32.35 65.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.901 0.382 . . . . 74.31 110.904 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t 58.67 72.73 0.8 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 74.54 111.126 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 118.3 5.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.614 2.21 . . . . 74.05 112.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.47 -116.0 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 74.22 112.497 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 71.23 110.857 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.872 0.368 . . . . 74.33 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.4 mp -76.8 146.63 37.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.896 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -106.94 38.78 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.916 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -165.03 139.27 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.953 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -90.67 142.4 27.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 72.11 111.148 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt -91.18 154.47 19.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 64.22 110.929 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.64 -178.95 38.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 75.33 112.456 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.36 23.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 54.32 112.357 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -104.76 -20.41 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 70.22 110.848 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.39 2.85 26.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.2 112.451 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -76.49 164.28 26.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 41.21 110.89 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 141.32 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.855 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.51 115.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 53.41 111.116 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -57.46 99.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 75.55 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.72 HG22 ' HB3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -144.43 24.49 1.57 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.071 -0.513 . . . . 71.54 111.098 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -59.82 121.9 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 64.13 110.926 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' N ' HD13 ' A' ' 17' ' ' LEU . 11.8 ttpp 51.77 39.46 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.918 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.72 ' HB3' HG22 ' A' ' 16' ' ' THR . 9.7 ptmt -52.32 -30.12 26.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 62.41 110.937 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.37 127.21 29.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 75.52 111.131 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -89.15 95.71 10.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 63.35 111.08 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -51.79 136.03 28.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.192 -0.458 . . . . 63.12 110.859 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -112.03 -25.08 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 71.31 110.86 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.19 -62.37 5.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.704 . . . . 62.54 112.388 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -107.16 147.05 30.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 50.22 110.834 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 tt -141.91 144.38 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.41 111.074 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 t -128.17 133.22 48.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 63.52 111.096 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -160.73 155.52 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.944 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -80.35 173.31 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 62.12 110.845 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.62 155.77 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 65.11 111.135 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -128.55 71.43 80.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 72.14 110.859 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.43 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.762 2.308 . . . . 73.04 112.339 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -154.78 140.74 18.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 71.41 111.049 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -167.46 168.96 12.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.872 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -107.18 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.861 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -118.68 69.0 8.5 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.68 0.752 . . . . 55.44 110.891 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -16.93 38.0 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.734 2.289 . . . . 72.15 112.318 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -91.57 12.86 19.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 63.21 110.857 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.81 -22.91 64.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.865 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.87 -32.79 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.91 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.23 -26.26 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.944 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.6 t -96.03 26.13 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 54.14 110.853 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 46' ' ' VAL . 9.6 ptm180 -65.7 -27.05 68.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -56.38 -25.47 49.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 65.13 110.893 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -51.98 -30.13 23.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 64.42 110.847 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.611 HG23 ' H ' ' A' ' 48' ' ' LEU . 34.0 m -51.68 -29.91 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 62.34 111.12 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.6 m 49.12 32.47 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.195 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.611 ' H ' HG23 ' A' ' 46' ' ' VAL . 23.7 mt -56.24 110.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.938 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -95.83 26.58 3.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.922 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -103.3 26.04 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 70.13 110.898 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -81.14 157.32 25.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.879 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HB3' HD13 ' A' ' 54' ' ' LEU . 48.8 m-85 -52.38 -68.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 65.23 110.838 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.31 27.78 25.5 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.765 -0.731 . . . . 75.05 112.501 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 52' ' ' PHE . 6.5 mp -68.23 151.32 47.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.909 0.385 . . . . 52.33 110.922 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.94 157.63 69.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.654 0.74 . . . . 72.11 111.077 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.43 32.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.719 2.28 . . . . 65.43 112.297 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.84 -124.59 5.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 35.53 112.488 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 62.42 110.974 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 74.34 110.866 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.8 mt -150.34 131.4 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 ttm -122.34 25.9 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 63.01 110.838 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 13' ' ' ARG . 34.0 p90 -157.53 136.1 11.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.962 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.451 HG23 HD13 ' A' ' 17' ' ' LEU . 47.5 p -91.17 162.09 14.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 55.11 111.117 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.39 158.04 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 61.12 110.965 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.83 179.48 30.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 54.3 112.454 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 63.33 112.374 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -104.64 -18.51 14.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 62.11 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.43 3.29 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 74.32 112.491 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -88.21 131.19 34.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 74.54 110.895 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 13.9 ptt85 -80.33 161.62 24.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.94 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -151.28 122.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.146 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -58.13 -175.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 70.22 110.879 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m 67.22 45.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 60.22 111.172 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD13 HG23 ' A' ' 6' ' ' THR . 9.9 tp -51.2 -57.51 8.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.918 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -54.25 106.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 62.14 110.855 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -52.71 -55.03 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.903 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.09 141.45 46.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 74.33 111.121 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -73.63 -54.82 7.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 53.41 111.145 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.44 110.92 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.931 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -57.75 -36.96 72.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 64.1 110.796 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.5 156.57 28.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 75.11 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -76.15 131.53 39.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 71.34 110.904 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.3 tt -99.34 -26.63 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.192 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -76.36 118.58 19.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 71.03 111.133 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 ptpp? -89.9 160.44 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.91 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.7 t -138.95 120.34 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 73.12 110.836 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.75 142.15 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 63.21 111.068 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -167.32 68.78 0.93 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.653 0.74 . . . . 73.32 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 87.54 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.745 2.296 . . . . 74.44 112.32 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.66 147.02 35.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 62.24 111.033 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -176.72 111.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 61.15 110.902 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -114.95 169.92 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 74.14 110.915 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -161.09 71.7 2.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.65 0.738 . . . . 72.4 110.841 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -48.26 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.717 2.278 . . . . 53.23 112.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -119.32 12.92 12.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.891 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -85.01 -22.88 28.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.861 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.82 -33.6 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 63.23 110.945 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.28 -27.63 62.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.913 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.0 p -55.38 -26.42 41.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.86 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.557 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -58.82 -26.91 64.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.903 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 47' ' ' THR . 11.0 pt20 -58.53 -23.95 59.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.04 110.926 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -54.78 -26.64 35.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.833 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 43' ' ' ARG . 95.8 t -51.5 -39.39 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.07 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 44' ' ' GLN . 13.3 t -51.53 142.85 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 71.31 111.141 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 48' ' ' LEU . 1.2 pt? -62.21 -25.03 67.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.33 111.003 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -60.14 -33.41 72.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.884 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' H ' HG23 ' A' ' 47' ' ' THR . 21.9 tptt -54.64 -28.92 50.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.925 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -80.48 135.71 36.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.903 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -86.71 -27.61 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.83 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.74 76.98 1.67 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.813 -0.708 . . . . 45.04 112.482 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tp -100.57 130.91 46.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.375 . . . . 61.24 110.916 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.6 t 53.93 70.61 1.66 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.656 0.741 . . . . 43.44 111.147 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 -172.37 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 75.41 112.366 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.77 97.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 51.23 112.526 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 72.31 110.869 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.853 0.359 . . . . 73.33 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.41 169.3 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.888 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.69 22.12 11.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 45.45 110.925 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -164.87 129.36 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.944 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -83.67 160.11 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 42.14 111.134 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.5 mt -109.29 157.29 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.961 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.32 179.53 33.52 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 22.01 112.463 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -8.4 23.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.725 2.284 . . . . 75.41 112.334 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -101.56 -21.87 14.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.53 110.848 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.84 4.36 24.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 73.04 112.524 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' NZ ' HD11 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -80.57 164.06 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 71.21 110.883 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 146.31 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.511 HD11 ' NZ ' ' A' ' 12' ' ' LYS . 76.1 mt -144.0 106.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 52.35 111.206 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -51.85 103.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.875 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -136.45 28.28 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 51.03 111.173 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.08 -31.18 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -52.17 -30.15 25.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.911 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -58.36 -62.02 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.04 110.929 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.96 131.15 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 50.1 111.171 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -102.37 -30.67 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.173 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.58 132.7 35.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 65.13 110.904 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -90.88 -31.64 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.888 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.75 -121.26 0.92 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.739 . . . . 70.34 112.441 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -58.52 107.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 51.11 110.864 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.4 tp -51.57 154.71 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 43.3 111.137 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.4 p 48.94 35.67 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.201 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -53.15 -32.46 47.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 55.32 110.879 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 t -124.41 165.21 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.875 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.99 162.43 19.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.08 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -54.22 160.61 2.34 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.603 0.716 . . . . 73.42 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.22 56.42 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 73.03 112.382 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' ' HD2' ' A' ' 34' ' ' ARG . . . -60.0 -29.56 68.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 65.11 111.14 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' HD2' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -174.57 161.5 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 65.12 110.846 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.3 104.43 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 64.1 110.821 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 p -171.03 70.08 0.51 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.675 0.75 . . . . 53.15 110.868 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.19 17.37 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.703 2.269 . . . . 72.22 112.315 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -128.75 145.95 51.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 52.03 110.899 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -84.93 -22.87 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.89 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -77.78 -4.0 44.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 64.01 110.94 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -52.81 -28.05 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.878 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 t -53.9 174.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 54.45 110.863 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -84.83 6.01 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.2 110.815 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.6 ' O ' HG22 ' A' ' 47' ' ' THR . 20.6 tt0 -66.59 -23.39 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.13 110.955 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -86.21 -39.7 16.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -77.23 -30.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 63.2 111.083 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 44' ' ' GLN . 12.3 t -52.4 142.07 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 53.4 111.196 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.3 tp 62.6 17.08 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 75.24 110.921 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 tttt 49.25 32.73 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.54 110.924 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -127.54 101.56 6.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.91 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -86.6 -73.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.51 110.916 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -107.74 21.51 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 71.52 110.943 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.23 -25.34 28.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 61.14 112.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 61.29 42.74 11.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 64.41 110.95 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t 63.38 68.5 0.91 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 43.13 111.114 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -173.3 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.609 2.206 . . . . 74.22 112.297 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.76 156.96 24.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 51.11 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 60.32 110.889 -179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.91 0.386 . . . . 65.33 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.92 155.89 39.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.866 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.738 ' CG ' HD22 ' A' ' 17' ' ' LEU . 5.9 ttp -134.23 22.55 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.887 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -165.32 147.74 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.944 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -96.28 138.85 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.01 111.173 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.5 157.94 20.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 61.01 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.82 -175.02 36.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 71.2 112.477 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -14.36 36.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 72.24 112.354 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.16 -24.6 14.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.916 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.81 17.65 6.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 44.02 112.479 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -90.89 143.3 26.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.332 . . . . 64.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -79.6 144.32 33.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 64.3 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -142.42 98.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.158 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -53.73 104.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.877 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.1 t -148.67 30.56 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.085 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD22 ' CG ' ' A' ' 4' ' ' MET . 14.9 tp -50.95 -58.43 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.948 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.1 mttt 52.16 42.92 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.868 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -54.7 -28.05 44.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.008 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.39 149.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 42.52 111.154 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -97.13 176.88 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.35 111.135 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -124.06 23.98 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.53 110.908 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.1 t -78.49 59.83 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.803 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.34 -60.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 74.44 112.517 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -89.08 112.83 23.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.796 0.331 . . . . 73.24 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.8 tt -119.47 149.01 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 64.1 111.188 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -94.8 113.49 25.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.44 111.064 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.03 169.48 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 61.12 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 p 52.01 35.92 17.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.941 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.1 110.09 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 72.3 111.089 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -151.33 160.56 31.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 74.33 110.813 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 93.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.731 2.287 . . . . 73.21 112.335 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.85 -173.27 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 62.12 111.107 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -175.9 131.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.881 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -109.63 23.8 13.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.844 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m 52.93 73.31 0.96 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.685 0.755 . . . . 70.22 110.806 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.31 37.64 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 71.35 112.401 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -52.03 168.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.875 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -85.01 -22.96 28.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.867 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.36 3.21 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -51.88 -30.82 25.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 72.44 110.955 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.0 t -102.61 91.23 4.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 71.51 110.83 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -21.96 53.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 44.02 110.804 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -52.13 -33.13 38.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.05 110.947 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -52.2 -32.86 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.945 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.93 -40.78 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 70.23 111.12 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -53.67 132.32 40.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 63.3 111.187 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.2 mp -60.38 116.45 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 75.12 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -65.94 -32.39 73.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.14 110.92 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.54 142.47 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.847 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -82.68 -57.43 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.919 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -52.37 126.09 18.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 64.5 110.944 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.33 25.22 0.77 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 63.44 112.524 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 54' ' ' LEU . 5.2 tt -96.88 -28.12 14.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.833 0.349 . . . . 74.32 110.954 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG23 ' HD2' ' A' ' 56' ' ' PRO . 7.3 p -153.33 133.26 7.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 64.24 111.14 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 55' ' ' VAL . 53.3 Cg_endo -69.79 96.36 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 75.31 112.338 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.55 82.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 72.12 112.451 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 73.2 110.879 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.8 m80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.794 0.33 . . . . 74.45 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.14 127.43 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.4 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.0 mmt -98.38 26.32 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.816 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -161.79 123.33 2.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.28 -0.418 . . . . 71.33 110.956 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 17' ' ' LEU . 70.8 p -80.39 156.73 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 74.52 111.144 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -107.53 163.84 12.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 54.1 110.944 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.9 -176.47 32.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 71.33 112.536 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -14.19 35.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 75.52 112.334 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -108.71 -20.2 13.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.863 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.2 13.52 6.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 71.42 112.469 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -76.3 129.6 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 75.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -79.48 148.18 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.6 mt -144.48 122.29 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.108 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -73.96 170.16 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.599 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.4 p 52.62 27.26 4.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 63.51 111.16 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 16' ' ' THR . 0.9 OUTLIER 40.92 39.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.902 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -77.24 59.93 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 72.2 110.938 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -59.13 -30.71 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 70.5 110.962 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.7 t -56.57 129.38 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.121 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -124.17 156.95 35.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.151 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.9 117.58 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.907 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 t -73.08 -26.55 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 61.22 110.862 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.5 31.02 59.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 72.55 112.483 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -96.88 168.09 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 63.42 110.941 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -53.02 146.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.141 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.4 p -75.39 141.1 43.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 72.43 111.062 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -58.52 163.37 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 75.52 110.941 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.1 m -99.82 164.29 12.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 30.2 110.886 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.81 -55.31 11.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 61.32 111.066 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -104.86 160.62 25.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 65.15 110.835 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -21.61 33.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.259 . . . . 72.34 112.361 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.85 38.07 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.1 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 mmt-85 -79.26 95.71 5.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.885 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -160.2 143.7 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 71.2 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m -52.05 160.54 1.16 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 73.21 110.886 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -40.05 5.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 74.51 112.37 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -156.48 150.06 24.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.92 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -79.35 -22.97 43.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.876 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -30.73 70.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.88 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -56.67 -25.41 53.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.907 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -78.32 106.41 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 71.25 110.902 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.57 ' O ' HG12 ' A' ' 46' ' ' VAL . 9.8 ttm180 -73.59 -26.26 60.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.871 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -57.27 -23.82 50.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -25.86 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.863 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 43' ' ' ARG . 9.3 p -52.32 -35.19 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 60.54 111.131 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.26 110.55 20.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 75.53 111.145 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -153.34 103.26 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.931 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.95 41.59 23.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.898 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.01 154.95 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 65.51 110.902 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -151.97 156.35 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 44.3 110.922 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -69.79 -69.71 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.867 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.12 -75.22 1.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.706 -0.759 . . . . 72.04 112.458 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.03 136.32 48.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.87 0.367 . . . . 42.12 110.887 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.5 t -141.24 73.8 25.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.697 0.761 . . . . 73.21 111.186 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 150.84 68.92 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 64.43 112.308 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.63 89.44 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 64.33 112.459 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 73.45 110.958 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.821 0.343 . . . . 64.55 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.5 mt -87.76 132.02 34.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 51.12 110.852 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.6 mtm -112.97 22.91 13.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 72.34 110.849 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.637 ' HA ' HG22 ' A' ' 16' ' ' THR . 17.9 p90 -165.12 128.83 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.938 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.823 HG23 HG21 ' A' ' 16' ' ' THR . 17.0 p -80.69 143.06 33.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 62.41 111.124 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.545 HD21 ' HE2' ' A' ' 5' ' ' TYR . 57.1 mt -103.33 144.81 30.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 75.23 110.893 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.4 -165.65 41.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 52.24 112.506 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.97 24.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.582 2.188 . . . . 54.11 112.425 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -109.06 23.62 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 53.24 110.888 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.57 19.46 71.07 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.691 -0.766 . . . . 75.11 112.511 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -67.32 107.61 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 71.4 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' HD23 ' A' ' 7' ' ' LEU . 52.2 mtt-85 -71.47 144.18 49.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.872 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -145.75 109.29 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 64.21 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -52.27 116.38 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.4 110.894 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.823 HG21 HG23 ' A' ' 6' ' ' THR . 13.8 t -139.08 23.77 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 74.53 111.132 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 pp -51.96 -32.07 31.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.903 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.738 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -53.69 -30.22 42.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.86 179.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -52.53 117.33 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.916 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 18' ' ' LYS . 47.7 t -135.56 139.2 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 71.11 111.182 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 t -102.47 -24.63 13.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.23 111.119 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 51.72 66.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 74.14 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.5 m -95.54 25.05 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 75.34 110.833 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.46 -134.6 7.23 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 55.24 112.518 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -157.85 122.25 4.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 64.42 110.823 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -131.2 142.93 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 70.12 111.125 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -161.85 166.52 26.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 73.33 111.111 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -130.47 114.09 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 t -138.79 166.25 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 54.12 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.14 173.66 11.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 72.53 111.105 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -169.8 71.85 0.65 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.583 0.706 . . . . 72.43 110.874 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.6 9.28 Favored 'Trans proline' 0 C--O 1.23 0.103 0 C-N-CA 122.738 2.292 . . . . 61.33 112.299 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.27 109.97 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.21 111.06 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.01 118.46 4.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.879 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -114.43 173.15 6.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 62.24 110.891 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.6 p -50.94 108.9 1.15 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.671 0.748 . . . . 51.2 110.848 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.65 7.46 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.683 2.255 . . . . 72.0 112.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -65.74 120.55 13.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.905 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -84.99 -22.9 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.895 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.49 -2.36 41.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.889 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -51.49 -31.14 22.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 73.25 110.901 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -96.04 36.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 74.24 110.937 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.5 ptm180 -70.19 -25.06 63.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 71.24 110.874 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -54.95 -26.41 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 64.25 110.984 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -52.0 -31.62 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 71.12 110.872 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 43' ' ' ARG . 99.3 t -52.06 -40.76 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 75.11 111.183 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 p -57.73 161.53 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 70.01 111.123 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.72 120.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 75.33 111.016 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 118.13 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 73.32 110.876 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -114.56 -30.12 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 71.24 110.944 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -57.58 147.56 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.941 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -81.18 -34.03 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.03 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.99 33.54 79.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 61.52 112.477 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.99 -27.88 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 72.42 110.87 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t 59.66 69.42 1.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 73.54 111.105 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.83 -17.51 37.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 41.24 112.347 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 111.97 143.76 9.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 73.04 112.446 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.744 0.307 . . . . 72.54 110.856 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.833 0.349 . . . . 75.14 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mt -113.26 160.09 18.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 73.55 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.6 mtt -106.16 25.31 11.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.868 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.496 ' CE2' HD21 ' A' ' 7' ' ' LEU . 16.4 p90 -165.07 133.13 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.986 0.422 . . . . 75.12 110.898 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -80.67 160.59 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 63.4 111.112 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.496 HD21 ' CE2' ' A' ' 5' ' ' TYR . 56.8 mt -118.25 152.96 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.875 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -165.14 32.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 51.43 112.501 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -30.49 21.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.575 2.183 . . . . 64.35 112.347 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -109.11 24.06 13.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.03 110.849 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.09 20.4 67.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 74.55 112.482 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.53 108.7 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 75.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -72.06 144.79 48.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.44 110.859 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.2 mt -145.25 106.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.13 111.156 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -61.99 98.21 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.862 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -126.5 24.57 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 64.52 111.085 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.84 -31.62 28.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 64.51 110.861 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -52.01 -31.4 29.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 51.31 110.86 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -55.44 116.43 2.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 70.31 110.948 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -103.96 151.75 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 75.14 111.157 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -104.81 175.24 5.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 62.14 111.16 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -116.99 84.79 2.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 75.15 110.843 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t 55.37 25.89 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 60.44 110.847 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.33 -144.64 34.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 74.32 112.432 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -150.05 108.33 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 72.01 110.893 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.7 mm -74.27 -47.01 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.2 111.028 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.9 p -124.31 130.29 52.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.166 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -73.97 128.36 35.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.31 110.91 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.7 p -89.25 152.31 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.81 155.89 16.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 61.31 111.116 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -69.75 160.62 79.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 73.24 110.863 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -16.48 37.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.608 2.205 . . . . 71.24 112.378 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -146.86 121.09 9.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 63.03 111.174 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -76.74 64.61 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 65.3 110.93 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -130.14 126.8 38.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.912 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.33 160.56 45.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.691 0.758 . . . . 64.44 110.833 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -26.39 28.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 61.11 112.377 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 64.22 15.28 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.25 -22.99 41.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.5 110.834 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -66.7 -30.01 70.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.901 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -58.91 -22.79 60.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.939 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -51.86 126.78 19.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 75.55 110.889 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' HG12 ' A' ' 46' ' ' VAL . 15.1 ptm180 -84.4 3.63 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.834 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.597 ' O ' HG22 ' A' ' 47' ' ' THR . 8.3 tp-100 -69.94 -23.59 63.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.86 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -38.45 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.908 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 43' ' ' ARG . 9.7 p -77.01 -30.53 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 72.33 111.148 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 44' ' ' GLN . 12.6 t -54.27 -26.88 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 74.54 111.098 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.609 HD22 ' HG3' ' A' ' 51' ' ' ARG . 96.0 mt -154.77 104.0 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 61.54 110.903 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -107.66 -32.4 7.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.892 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -90.22 -65.15 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.905 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HG3' HD22 ' A' ' 48' ' ' LEU . 13.5 ptp180 -81.82 162.04 22.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 63.5 110.827 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -131.42 129.87 41.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.879 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 59.23 5.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 72.32 112.463 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mt -114.45 -28.46 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 71.32 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.442 HG23 ' HD2' ' A' ' 56' ' ' PRO . 7.3 p -155.56 133.16 6.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.589 0.709 . . . . 73.44 111.13 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 55' ' ' VAL . 52.7 Cg_endo -69.83 -40.98 4.58 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.635 2.223 . . . . 74.41 112.279 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.59 156.89 31.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.783 -0.722 . . . . 52.32 112.516 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.835 0.35 . . . . 61.14 110.867 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.9 m80 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.817 0.342 . . . . 74.31 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mt -73.0 174.73 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.903 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.4 ' HB2' HD22 ' A' ' 17' ' ' LEU . 5.2 ptm -119.71 21.58 11.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 75.01 110.865 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -165.04 134.57 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 63.31 110.886 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -79.76 164.47 23.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 61.25 111.133 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.4 mt -112.23 152.48 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.52 -165.25 36.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.709 . . . . 62.3 112.462 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.6 16.04 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.635 2.223 . . . . 75.41 112.326 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -109.1 24.33 13.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 51.21 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.68 31.38 50.01 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.717 -0.754 . . . . 71.13 112.404 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -87.61 111.51 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 74.34 110.858 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' NE ' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.85 144.53 48.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 70.23 110.861 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -146.91 106.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 44.11 111.102 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -53.98 101.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 64.41 110.908 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -138.69 25.36 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 65.3 111.171 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 4' ' ' MET . 29.4 tp -55.32 120.46 7.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.916 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -55.47 -36.2 66.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.848 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -61.57 114.66 3.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.898 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 p -130.61 135.34 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 71.21 111.118 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -89.01 124.88 34.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 45.03 111.124 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.25 132.69 35.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 70.43 110.967 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -89.83 -28.92 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 65.24 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.92 115.19 0.52 Allowed Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.699 -0.762 . . . . 75.1 112.459 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -51.11 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 74.15 110.89 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.1 mt -88.47 131.69 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 45.22 111.084 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.0 t -103.27 -30.78 10.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 44.25 111.118 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 177.3 0.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.845 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -152.55 109.08 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.877 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.36 157.29 37.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 50.52 111.107 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -166.62 71.74 1.11 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.554 0.693 . . . . 70.54 110.823 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 90.02 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 53.15 112.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.42 -62.36 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 55.24 111.123 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.63 125.11 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.838 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -156.83 141.15 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.32 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -120.9 160.52 44.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.664 0.745 . . . . 74.52 110.895 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -43.66 2.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.723 2.282 . . . . 73.44 112.38 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -113.69 132.8 55.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.861 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -85.17 -22.68 28.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.84 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.03 -5.79 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 62.22 110.919 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -52.3 -29.54 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.945 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 p -59.57 104.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 75.31 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.23 -25.75 42.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 73.13 110.901 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -46.58 65.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.32 110.887 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -31.98 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.11 -53.94 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.03 111.136 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -62.53 159.09 16.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 75.23 111.081 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.72 127.43 31.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 63.54 110.936 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -84.77 128.57 34.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 63.14 110.924 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -100.09 163.93 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.901 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -87.17 132.37 33.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.868 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.37 -28.15 21.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 52.1 110.863 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.83 78.2 1.4 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.783 -0.723 . . . . 71.35 112.52 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.5 -74.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 74.51 110.933 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -144.93 125.23 7.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.547 0.689 . . . . 74.33 111.178 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 134.83 29.12 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.707 2.272 . . . . 74.41 112.396 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.37 32.06 3.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 55.34 112.439 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 50.44 110.905 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.848 0.356 . . . . 71.34 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -80.05 165.15 22.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.867 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.448 ' HG3' HD23 ' A' ' 17' ' ' LEU . 1.4 mpt? -99.28 26.2 6.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.948 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.416 ' HE2' HD21 ' A' ' 7' ' ' LEU . 34.8 p90 -164.44 124.53 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.965 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.447 HG23 ' OG1' ' A' ' 16' ' ' THR . 38.0 p -82.18 139.58 34.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 42.34 111.182 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD21 ' HE2' ' A' ' 5' ' ' TYR . 54.3 mt -93.77 164.9 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.877 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.86 -177.93 29.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.806 -0.711 . . . . 73.55 112.54 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -10.31 28.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 64.34 112.322 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -108.65 -21.52 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.2 110.929 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.6 16.53 6.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 35.32 112.497 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.93 137.2 33.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 75.24 110.918 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HA ' HD23 ' A' ' 7' ' ' LEU . 31.6 mtm180 -78.34 145.2 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.909 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.7 mt -143.23 104.24 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -53.05 105.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.447 ' OG1' HG23 ' A' ' 6' ' ' THR . 5.8 p -132.51 24.05 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 75.42 111.175 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 17' ' ' LEU . 3.3 tm? -51.82 -45.9 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 54.05 110.856 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.02 132.78 55.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 73.04 110.852 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -57.85 134.41 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.945 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.01 120.67 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 65.13 111.12 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -103.99 -38.95 6.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 74.22 111.196 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -87.07 137.56 32.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -120.93 33.83 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 60.22 110.83 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.58 -157.17 37.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.802 -0.713 . . . . 41.22 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -103.67 128.39 51.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 54.42 110.919 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.01 134.81 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 73.23 111.078 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -57.77 160.95 4.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 71.4 111.168 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -93.59 -30.45 14.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.911 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 t -121.77 123.66 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.3 110.817 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.76 109.4 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 75.24 111.078 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 t60 60.75 68.41 1.31 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.613 0.721 . . . . 63.21 110.854 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -18.85 37.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.754 2.303 . . . . 75.44 112.384 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 55.88 44.53 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 74.34 111.034 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -60.47 134.41 57.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.909 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -135.79 136.19 40.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.899 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.01 160.33 0.12 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 63.45 110.863 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -43.75 2.45 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.717 2.278 . . . . 73.5 112.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.6 t70 64.21 15.24 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -75.22 -22.97 57.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -93.03 -36.3 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.841 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.65 -26.5 68.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.302 -0.408 . . . . 74.4 110.878 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -67.63 138.04 56.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 62.31 110.861 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -83.7 -25.52 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 63.11 110.879 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -53.51 -28.77 32.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -61.36 -28.91 69.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 62.11 110.89 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.3 t -76.19 -41.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 71.41 111.056 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.69 176.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.24 111.182 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.598 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.6 pp -168.71 132.33 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.44 110.909 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -80.47 124.92 29.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.925 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -128.71 111.89 13.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 70.43 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -132.41 149.02 52.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.858 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -97.13 -55.36 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.859 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.57 -48.65 3.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 61.01 112.495 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.1 tp -106.67 131.92 53.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 54.2 110.885 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' HD2' ' A' ' 56' ' ' PRO . 7.3 p -122.28 133.28 24.3 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.647 0.737 . . . . 70.43 111.096 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 55' ' ' VAL . 53.8 Cg_endo -69.78 127.69 14.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 72.02 112.359 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.43 -152.92 29.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 42.32 112.503 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 71.13 110.873 -179.813 . . . . . . . . 0 0 . 1 stop_ save_