data_2n0b_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 2n0b _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.862 0.363 . . . . 73.319999999999993 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -95.29 97.73 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 73.209999999999994 110.821 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -62.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.5 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.77 103.91 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 73.310000000000002 111.098 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.51 -68.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.150000000000006 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.88 -62.72 0.14 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.857 -0.687 . . . . 71.219999999999999 112.54 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.47 37.43 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 70.340000000000003 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.010000000000005 110.92 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.844 0.354 . . . . 61.020000000000003 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -133.52 117.21 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -65.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.92 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.29 100.65 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 111.04 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.06 -29.87 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 74.140000000000001 111.119 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.6 -97.73 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.88 -0.676 . . . . 43.340000000000003 112.601 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -87.1 53.05 2.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 71.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 110.883 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.945 0.402 . . . . 73.120000000000005 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -113.18 130.62 56.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.510000000000005 110.812 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -61.64 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.420000000000002 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.76 103.63 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 73.129999999999995 111.138 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 p -78.57 -26.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 70.430000000000007 111.14 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.8 29.23 3.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.803 -0.713 . . . . 51.299999999999997 112.437 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -131.3 33.39 4.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 74.329999999999998 110.874 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 73.040000000000006 110.964 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.902 0.382 . . . . 74.129999999999995 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -123.52 66.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 61.539999999999999 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -68.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.91 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.76 93.0 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.109999999999999 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.98 -31.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 44.229999999999997 111.089 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 -44.22 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 74.430000000000007 112.436 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -81.58 58.16 3.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 74.340000000000003 110.838 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.916 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.857 0.361 . . . . 74.319999999999993 110.864 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -132.66 68.89 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.209999999999994 110.898 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -68.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.209999999999994 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.27 92.76 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 50.210000000000001 111.181 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.0 -32.49 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 111.095 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.75 -19.67 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 74.400000000000006 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -131.36 78.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 62.549999999999997 110.861 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.510000000000005 110.876 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.896 0.379 . . . . 74.340000000000003 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 57.39 38.2 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.140000000000001 110.856 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -62.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 73.319999999999993 111.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.58 105.52 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.540000000000006 111.094 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.48 -29.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 111.123 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.77 -19.69 3.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.847 -0.692 . . . . 55.229999999999997 112.467 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -95.43 47.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 74.230000000000004 110.815 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 71.040000000000006 110.895 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.858 0.361 . . . . 73.530000000000001 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -74.82 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 75.120000000000005 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -71.18 -69.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 72.340000000000003 110.939 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.91 92.07 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.5 111.108 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.51 -35.42 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.45 -106.02 0.23 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 53.350000000000001 112.562 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -107.63 28.11 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 65.239999999999995 110.856 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 110.943 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.8 0.333 . . . . 74.519999999999996 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -68.89 104.63 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.530000000000001 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -61.73 -70.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 110.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.47 91.05 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 63.329999999999998 111.121 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.95 -35.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 63.210000000000001 111.025 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.55 -33.61 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 55.030000000000001 112.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -89.44 52.79 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 75.150000000000006 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.230000000000004 110.862 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.876 0.37 . . . . 41.32 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -80.42 147.56 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.863 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.8 92.87 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.219999999999999 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.97 -68.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 64.109999999999999 111.107 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.18 35.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.827 -0.701 . . . . 32.409999999999997 112.521 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -131.61 30.12 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 74.129999999999995 110.857 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 74.140000000000001 111.026 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.834 0.35 . . . . 73.409999999999997 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -94.26 137.86 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 70.129999999999995 110.908 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -58.1 7.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.17 92.63 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 70.040000000000006 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.1 t -53.34 -61.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 53.450000000000003 110.967 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.25 -71.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.874 -0.679 . . . . 45.0 112.585 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -107.88 65.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 74.120000000000005 110.846 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.519999999999996 110.929 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.861 0.362 . . . . 71.439999999999998 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -149.41 119.66 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.859 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -69.05 -69.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.69 91.63 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.539999999999999 111.141 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.8 t -52.99 -39.16 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 61.299999999999997 111.083 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.21 -105.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 61.140000000000001 112.525 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -104.73 80.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 72.209999999999994 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.430000000000007 111.004 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.864 0.364 . . . . 75.329999999999998 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -62.19 139.85 58.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.219999999999999 110.895 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 75.030000000000001 110.857 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.41 106.61 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.310000000000002 111.089 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.55 -27.33 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 64.319999999999993 111.208 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.51 -20.71 20.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 52.409999999999997 112.463 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -89.56 57.38 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 71.299999999999997 110.884 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 74.010000000000005 110.939 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 54.100000000000001 110.839 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -104.39 124.63 49.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.520000000000003 110.862 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -65.34 -66.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 73.540000000000006 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.2 90.34 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 63.229999999999997 111.109 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.62 -44.39 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 111.071 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.44 -98.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 72.200000000000003 112.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -102.2 31.63 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 63.130000000000003 110.817 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 54.530000000000001 110.902 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.9 m120 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 73.209999999999994 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -72.77 172.75 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.239999999999995 110.881 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 -71.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.73 103.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 111.173 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.18 -25.97 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 111.12 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.82 24.45 5.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 51.539999999999999 112.522 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -121.08 32.87 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 74.099999999999994 110.842 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.877 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 m120 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.946 0.403 . . . . 52.140000000000001 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -134.52 30.6 3.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -56.31 -69.51 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 75.450000000000003 110.953 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.85 90.64 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.200000000000003 111.027 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.62 -36.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.122 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 -71.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.844 -0.693 . . . . 75.540000000000006 112.555 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -133.84 68.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 73.340000000000003 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 110.938 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.933 0.396 . . . . 63.25 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -79.33 120.16 23.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.887 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -52.07 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.964 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 9' ' ' LEU . . . -121.07 90.29 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 65.510000000000005 111.058 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.78 -37.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 73.129999999999995 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.1 -25.81 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.864 -0.684 . . . . 63.32 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.96 53.7 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 72.340000000000003 110.879 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 5' ' ' ALA . 7.9 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.845 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 110.825 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -74.77 137.15 41.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -56.49 -64.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.430000000000007 110.852 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.15 87.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 42.049999999999997 111.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.65 -53.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 62.219999999999999 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.89 -105.2 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.721 . . . . 41.039999999999999 112.493 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -101.15 84.86 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 72.219999999999999 110.835 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 71.150000000000006 110.932 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.841 0.353 . . . . 74.510000000000005 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.12 134.38 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -52.91 -59.0 5.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.238 -0.437 . . . . 62.130000000000003 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.66 87.7 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 64.010000000000005 111.086 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.64 -55.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.32 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.99 -86.63 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.875 -0.679 . . . . 72.230000000000004 112.555 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -132.03 43.13 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 52.420000000000002 110.848 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.948 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.454 -0.258 . . . . 62.539999999999999 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -103.99 138.46 40.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 73.319999999999993 110.871 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -95.29 97.73 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 73.209999999999994 110.821 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -62.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.5 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.77 103.91 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 73.310000000000002 111.098 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.51 -68.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.150000000000006 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.88 -62.72 0.14 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.857 -0.687 . . . . 71.219999999999999 112.54 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.47 37.43 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 70.340000000000003 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tt -110.7 135.94 50.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.010000000000005 110.92 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.3 ttm . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 62.149999999999999 110.837 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.498 -0.241 . . . . 64.209999999999994 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.77 -30.38 11.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 61.020000000000003 110.927 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -133.52 117.21 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -65.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.92 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.29 100.65 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 111.04 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.06 -29.87 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 74.140000000000001 111.119 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.6 -97.73 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.88 -0.676 . . . . 43.340000000000003 112.601 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -87.1 53.05 2.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 71.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tp 62.86 41.13 9.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 110.883 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 72.450000000000003 110.853 179.81 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.391 -0.284 . . . . 74.150000000000006 112.391 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -116.25 -31.04 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 73.120000000000005 110.946 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -113.18 130.62 56.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.510000000000005 110.812 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -61.64 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.420000000000002 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.76 103.63 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 73.129999999999995 111.138 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 p -78.57 -26.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 70.430000000000007 111.14 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.8 29.23 3.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.803 -0.713 . . . . 51.299999999999997 112.437 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -131.3 33.39 4.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 74.329999999999998 110.874 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 mt -125.41 74.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 73.040000000000006 110.964 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.6 mtp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 65.329999999999998 110.895 179.818 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.514 -0.235 . . . . 60.140000000000001 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -124.73 162.43 24.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 74.129999999999995 110.85 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -123.52 66.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 61.539999999999999 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -68.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.91 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.76 93.0 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.109999999999999 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.98 -31.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 44.229999999999997 111.089 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 -44.22 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 74.430000000000007 112.436 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -81.58 58.16 3.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 74.340000000000003 110.838 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 tt -125.13 131.69 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.916 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 71.129999999999995 110.867 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.453 -0.259 . . . . 54.32 112.453 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -95.2 80.15 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 74.319999999999993 110.864 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -132.66 68.89 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.209999999999994 110.898 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -68.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.209999999999994 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.27 92.76 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 50.210000000000001 111.181 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.0 -32.49 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 111.095 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.75 -19.67 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 74.400000000000006 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -131.36 78.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 62.549999999999997 110.861 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -110.77 -26.31 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.510000000000005 110.876 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.859 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.196 0 N-CA-C 112.499 -0.241 . . . . 64.010000000000005 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -97.98 82.43 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 74.340000000000003 110.912 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 57.39 38.2 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.140000000000001 110.856 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -62.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 73.319999999999993 111.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.58 105.52 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.540000000000006 111.094 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.48 -29.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 111.123 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.77 -19.69 3.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.847 -0.692 . . . . 55.229999999999997 112.467 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -95.43 47.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 74.230000000000004 110.815 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.67 162.03 25.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 71.040000000000006 110.895 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 73.140000000000001 110.897 179.794 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.498 -0.241 . . . . 72.530000000000001 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -87.09 -48.22 8.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.858 0.361 . . . . 73.530000000000001 110.882 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -74.82 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 75.120000000000005 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -71.18 -69.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 72.340000000000003 110.939 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.91 92.07 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.5 111.108 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.51 -35.42 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.45 -106.02 0.23 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 53.350000000000001 112.562 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -107.63 28.11 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 65.239999999999995 110.856 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.68 117.91 24.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 110.943 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 71.450000000000003 110.882 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.476 -0.249 . . . . 74.219999999999999 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -84.31 -34.54 23.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 74.519999999999996 110.868 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -68.89 104.63 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.530000000000001 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -61.73 -70.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 110.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.47 91.05 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 63.329999999999998 111.121 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.95 -35.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 63.210000000000001 111.025 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.55 -33.61 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 55.030000000000001 112.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -89.44 52.79 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 75.150000000000006 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.4 150.9 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.230000000000004 110.862 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.4 mtt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 63.420000000000002 110.93 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.406 -0.278 . . . . 41.009999999999998 112.406 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -125.43 66.15 1.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.876 0.37 . . . . 41.32 110.88 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -80.42 147.56 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.863 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 75.200000000000003 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.8 92.87 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.219999999999999 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.97 -68.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 64.109999999999999 111.107 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.18 35.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.827 -0.701 . . . . 32.409999999999997 112.521 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -131.61 30.12 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 74.129999999999995 110.857 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 tp -77.68 139.16 39.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 74.140000000000001 111.026 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 63.200000000000003 110.828 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.429 -0.268 . . . . 53.409999999999997 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -104.67 -71.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.409999999999997 110.903 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -94.26 137.86 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 70.129999999999995 110.908 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -58.1 7.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.17 92.63 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 70.040000000000006 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.1 t -53.34 -61.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 53.450000000000003 110.967 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.25 -71.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.874 -0.679 . . . . 45.0 112.585 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -107.88 65.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 74.120000000000005 110.846 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.55 124.55 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.519999999999996 110.929 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 65.540000000000006 110.937 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.44 -0.264 . . . . 70.140000000000001 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -59.85 -29.05 68.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 71.439999999999998 110.856 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -149.41 119.66 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.859 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -69.05 -69.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.129999999999995 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.69 91.63 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.539999999999999 111.141 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.8 t -52.99 -39.16 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 61.299999999999997 111.083 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.21 -105.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 61.140000000000001 112.525 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -104.73 80.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 72.209999999999994 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.88 164.84 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.430000000000007 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 61.420000000000002 110.856 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.538 -0.225 . . . . 40.0 112.538 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -125.34 80.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 75.329999999999998 110.856 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -62.19 139.85 58.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.219999999999999 110.895 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 75.030000000000001 110.857 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.41 106.61 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.310000000000002 111.089 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.55 -27.33 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 64.319999999999993 111.208 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.51 -20.71 20.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 52.409999999999997 112.463 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -89.56 57.38 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 71.299999999999997 110.884 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -119.72 127.24 52.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 74.010000000000005 110.939 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.4 ttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.916 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.393 -0.283 . . . . 74.010000000000005 112.393 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -108.46 125.78 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 54.100000000000001 110.839 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -104.39 124.63 49.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.520000000000003 110.862 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -65.34 -66.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 73.540000000000006 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.2 90.34 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 63.229999999999997 111.109 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.62 -44.39 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 111.071 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.44 -98.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 72.200000000000003 112.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -102.2 31.63 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 63.130000000000003 110.817 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.9 mt -96.6 113.24 24.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 54.530000000000001 110.902 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 74.010000000000005 110.83 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.53 -0.228 . . . . 61.25 112.53 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -96.56 -73.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 73.209999999999994 110.909 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -72.77 172.75 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.239999999999995 110.881 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 -71.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.73 103.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 111.173 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.18 -25.97 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 111.12 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.82 24.45 5.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 51.539999999999999 112.522 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -121.08 32.87 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 74.099999999999994 110.842 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.63 157.82 16.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.877 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.8 ptm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 40.399999999999999 110.906 179.786 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.493 -0.243 . . . . 73.209999999999994 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -113.81 96.85 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 52.140000000000001 110.919 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -134.52 30.6 3.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -56.31 -69.51 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 75.450000000000003 110.953 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.85 90.64 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.200000000000003 111.027 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.62 -36.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.122 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 -71.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.844 -0.693 . . . . 75.540000000000006 112.555 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -133.84 68.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 73.340000000000003 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 10' ' ' MET . 4.3 pp -60.3 -29.92 69.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 110.938 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.404 ' N ' HD11 ' A' ' 9' ' ' LEU . 3.7 ptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 61.009999999999998 110.808 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.386 -0.286 . . . . 64.340000000000003 112.386 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -133.84 35.35 3.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.933 0.396 . . . . 63.25 110.958 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -79.33 120.16 23.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.887 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -52.07 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.964 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 9' ' ' LEU . . . -121.07 90.29 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 65.510000000000005 111.058 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.78 -37.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 73.129999999999995 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.1 -25.81 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.864 -0.684 . . . . 63.32 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.96 53.7 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 72.340000000000003 110.879 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 5' ' ' ALA . 7.9 tp -106.88 88.88 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.845 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.510000000000005 110.803 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.538 -0.225 . . . . 61.409999999999997 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -136.25 130.66 33.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 73.109999999999999 110.825 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -74.77 137.15 41.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -56.49 -64.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.430000000000007 110.852 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.15 87.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 42.049999999999997 111.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.65 -53.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 62.219999999999999 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.89 -105.2 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.721 . . . . 41.039999999999999 112.493 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -101.15 84.86 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 72.219999999999999 110.835 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.83 31.37 6.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 71.150000000000006 110.932 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 54.520000000000003 110.875 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.443 -0.263 . . . . 63.109999999999999 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 55.99 43.7 26.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 74.510000000000005 110.878 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.12 134.38 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -52.91 -59.0 5.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.238 -0.437 . . . . 62.130000000000003 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.66 87.7 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 64.010000000000005 111.086 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.64 -55.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.32 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.99 -86.63 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.875 -0.679 . . . . 72.230000000000004 112.555 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -132.03 43.13 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 52.420000000000002 110.848 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -91.32 -54.0 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.948 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 65.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.862 0.363 . . . . 73.32 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -95.29 97.73 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.821 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -62.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.5 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.77 103.91 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.098 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.51 -68.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.15 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.88 -62.72 0.14 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.857 -0.687 . . . . 71.22 112.54 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.47 37.43 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 70.34 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.92 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.844 0.354 . . . . 61.02 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -133.52 117.21 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -65.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.92 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.29 100.65 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.04 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.06 -29.87 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 74.14 111.119 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.6 -97.73 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.88 -0.676 . . . . 43.34 112.601 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -87.1 53.05 2.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 71.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.883 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.945 0.402 . . . . 73.12 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -113.18 130.62 56.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.812 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -61.64 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.42 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.76 103.63 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 73.13 111.138 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 p -78.57 -26.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 70.43 111.14 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.8 29.23 3.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.803 -0.713 . . . . 51.3 112.437 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -131.3 33.39 4.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 74.33 110.874 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.964 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.902 0.382 . . . . 74.13 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -123.52 66.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 61.54 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -68.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.91 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.76 93.0 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.98 -31.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 44.23 111.089 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 -44.22 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.436 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -81.58 58.16 3.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 74.34 110.838 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.916 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.857 0.361 . . . . 74.32 110.864 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -132.66 68.89 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.898 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -68.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.777 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -140.27 92.76 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 50.21 111.181 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.0 -32.49 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 74.44 111.095 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.75 -19.67 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 74.4 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -131.36 78.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 62.55 110.861 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.777 HD22 ' HB1' ' A' ' 5' ' ' ALA . 1.4 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.51 110.876 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.896 0.379 . . . . 74.34 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 57.39 38.2 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.856 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -62.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.58 105.52 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.094 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.48 -29.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.123 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.77 -19.69 3.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.847 -0.692 . . . . 55.23 112.467 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.494 ' C ' HD22 ' A' ' 9' ' ' LEU . 27.1 m170 -95.43 47.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 74.23 110.815 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.494 HD22 ' C ' ' A' ' 8' ' ' HIS . 4.5 mm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 71.04 110.895 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.858 0.361 . . . . 73.53 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -74.82 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 75.12 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -71.18 -69.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.939 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.91 92.07 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.5 111.108 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.51 -35.42 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.23 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.45 -106.02 0.23 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 53.35 112.562 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -107.63 28.11 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 65.24 110.856 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.943 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.8 0.333 . . . . 74.52 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -68.89 104.63 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -61.73 -70.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.47 91.05 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 63.33 111.121 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.95 -35.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 63.21 111.025 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.55 -33.61 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 55.03 112.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -89.44 52.79 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 75.15 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.23 110.862 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.876 0.37 . . . . 41.32 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -80.42 147.56 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.863 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.8 92.87 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.22 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.97 -68.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 64.11 111.107 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.18 35.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.827 -0.701 . . . . 32.41 112.521 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -131.61 30.12 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 74.13 110.857 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 74.14 111.026 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.544 ' N ' HD21 ' A' ' 2' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.834 0.35 . . . . 73.41 110.903 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -94.26 137.86 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 70.13 110.908 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -58.1 7.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.17 92.63 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 70.04 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.1 t -53.34 -61.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 53.45 110.967 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.25 -71.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.874 -0.679 . . . . 45.0 112.585 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -107.88 65.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 74.12 110.846 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.52 110.929 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.861 0.362 . . . . 71.44 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -149.41 119.66 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.859 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -69.05 -69.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.69 91.63 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.54 111.141 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.8 t -52.99 -39.16 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 61.3 111.083 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.21 -105.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 61.14 112.525 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -104.73 80.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 72.21 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.43 111.004 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.864 0.364 . . . . 75.33 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -62.19 139.85 58.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.22 110.895 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 75.03 110.857 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.41 106.61 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.089 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.726 HG13 ' H ' ' A' ' 8' ' ' HIS . 7.7 p -93.55 -27.33 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 64.32 111.208 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.51 -20.71 20.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 52.41 112.463 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.726 ' H ' HG13 ' A' ' 6' ' ' VAL . 13.7 t60 -89.56 57.38 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 71.3 110.884 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 74.01 110.939 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 54.1 110.839 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -104.39 124.63 49.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.52 110.862 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -65.34 -66.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.2 90.34 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.109 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.62 -44.39 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.45 111.071 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.44 -98.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 72.2 112.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -102.2 31.63 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 63.13 110.817 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 54.53 110.902 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.9 m120 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 73.21 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -72.77 172.75 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.881 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 -71.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.73 103.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.173 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.18 -25.97 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.12 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.82 24.45 5.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 51.54 112.522 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -121.08 32.87 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 74.1 110.842 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.877 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 m120 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.946 0.403 . . . . 52.14 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -134.52 30.6 3.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -56.31 -69.51 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.953 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.85 90.64 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.027 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.62 -36.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 74.02 111.122 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 -71.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.844 -0.693 . . . . 75.54 112.555 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -133.84 68.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 73.34 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.938 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.933 0.396 . . . . 63.25 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -79.33 120.16 23.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.887 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -52.07 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.964 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -121.07 90.29 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 65.51 111.058 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.78 -37.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.1 -25.81 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.864 -0.684 . . . . 63.32 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.96 53.7 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 72.34 110.879 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 5' ' ' ALA . 7.9 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.845 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.866 0.365 . . . . 73.11 110.825 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -74.77 137.15 41.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -56.49 -64.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.852 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.15 87.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 42.05 111.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.65 -53.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 62.22 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.89 -105.2 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.721 . . . . 41.04 112.493 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -101.15 84.86 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 72.22 110.835 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 71.15 110.932 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.841 0.353 . . . . 74.51 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.12 134.38 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -52.91 -59.0 5.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.238 -0.437 . . . . 62.13 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.66 87.7 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 64.01 111.086 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.64 -55.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.32 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.99 -86.63 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.875 -0.679 . . . . 72.23 112.555 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -132.03 43.13 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 52.42 110.848 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.948 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.454 -0.258 . . . . 62.54 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -103.99 138.46 40.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 73.32 110.871 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -95.29 97.73 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.821 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -62.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.5 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.77 103.91 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.098 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.51 -68.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.15 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.88 -62.72 0.14 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.857 -0.687 . . . . 71.22 112.54 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.47 37.43 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 70.34 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tt -110.7 135.94 50.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.92 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.3 ttm . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 62.15 110.837 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.498 -0.241 . . . . 64.21 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.77 -30.38 11.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 61.02 110.927 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -133.52 117.21 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -65.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.92 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.29 100.65 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.04 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.06 -29.87 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 74.14 111.119 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.6 -97.73 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.88 -0.676 . . . . 43.34 112.601 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -87.1 53.05 2.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 71.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tp 62.86 41.13 9.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.883 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 72.45 110.853 179.81 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.391 -0.284 . . . . 74.15 112.391 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -116.25 -31.04 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 73.12 110.946 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -113.18 130.62 56.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.812 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -61.64 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.42 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.76 103.63 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 73.13 111.138 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 p -78.57 -26.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 70.43 111.14 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.8 29.23 3.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.803 -0.713 . . . . 51.3 112.437 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -131.3 33.39 4.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 74.33 110.874 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 mt -125.41 74.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.964 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.6 mtp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 65.33 110.895 179.818 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.514 -0.235 . . . . 60.14 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -124.73 162.43 24.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 74.13 110.85 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -123.52 66.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 61.54 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -68.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.91 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.76 93.0 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.98 -31.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 44.23 111.089 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 -44.22 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.436 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -81.58 58.16 3.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 74.34 110.838 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 tt -125.13 131.69 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.916 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.867 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.453 -0.259 . . . . 54.32 112.453 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -95.2 80.15 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 74.32 110.864 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -132.66 68.89 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.898 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -68.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.777 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -140.27 92.76 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 50.21 111.181 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.0 -32.49 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 74.44 111.095 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.75 -19.67 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 74.4 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -131.36 78.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 62.55 110.861 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.777 HD22 ' HB1' ' A' ' 5' ' ' ALA . 1.4 pt? -110.77 -26.31 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.51 110.876 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.859 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.196 0 N-CA-C 112.499 -0.241 . . . . 64.01 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -97.98 82.43 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 74.34 110.912 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 57.39 38.2 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.856 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -62.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.58 105.52 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.094 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.48 -29.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.123 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.77 -19.69 3.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.847 -0.692 . . . . 55.23 112.467 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.494 ' C ' HD22 ' A' ' 9' ' ' LEU . 27.1 m170 -95.43 47.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 74.23 110.815 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.494 HD22 ' C ' ' A' ' 8' ' ' HIS . 4.5 mm? -125.67 162.03 25.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 71.04 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.897 179.794 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.498 -0.241 . . . . 72.53 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -87.09 -48.22 8.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.858 0.361 . . . . 73.53 110.882 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -74.82 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 75.12 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -71.18 -69.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.939 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.91 92.07 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.5 111.108 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.51 -35.42 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.23 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.45 -106.02 0.23 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 53.35 112.562 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -107.63 28.11 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 65.24 110.856 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.68 117.91 24.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.943 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 71.45 110.882 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.476 -0.249 . . . . 74.22 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -84.31 -34.54 23.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 74.52 110.868 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -68.89 104.63 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -61.73 -70.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.47 91.05 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 63.33 111.121 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.95 -35.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 63.21 111.025 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.55 -33.61 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 55.03 112.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -89.44 52.79 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 75.15 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.4 150.9 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.23 110.862 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.4 mtt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 63.42 110.93 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.406 -0.278 . . . . 41.01 112.406 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -125.43 66.15 1.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.876 0.37 . . . . 41.32 110.88 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -80.42 147.56 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.863 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.8 92.87 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.22 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.97 -68.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 64.11 111.107 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.18 35.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.827 -0.701 . . . . 32.41 112.521 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -131.61 30.12 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 74.13 110.857 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 tp -77.68 139.16 39.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 74.14 111.026 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 63.2 110.828 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.429 -0.268 . . . . 53.41 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -104.67 -71.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.41 110.903 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -94.26 137.86 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 70.13 110.908 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -58.1 7.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.17 92.63 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 70.04 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.1 t -53.34 -61.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 53.45 110.967 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.25 -71.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.874 -0.679 . . . . 45.0 112.585 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -107.88 65.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 74.12 110.846 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.55 124.55 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.52 110.929 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 65.54 110.937 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.44 -0.264 . . . . 70.14 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -59.85 -29.05 68.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 71.44 110.856 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -149.41 119.66 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.859 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -69.05 -69.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.69 91.63 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.54 111.141 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.8 t -52.99 -39.16 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 61.3 111.083 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.21 -105.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 61.14 112.525 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -104.73 80.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 72.21 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.88 164.84 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.43 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 61.42 110.856 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.538 -0.225 . . . . 40.0 112.538 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -125.34 80.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 75.33 110.856 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -62.19 139.85 58.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.22 110.895 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 75.03 110.857 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.41 106.61 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.089 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.726 HG13 ' H ' ' A' ' 8' ' ' HIS . 7.7 p -93.55 -27.33 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 64.32 111.208 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.51 -20.71 20.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 52.41 112.463 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.726 ' H ' HG13 ' A' ' 6' ' ' VAL . 13.7 t60 -89.56 57.38 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 71.3 110.884 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -119.72 127.24 52.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 74.01 110.939 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.4 ttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.916 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.393 -0.283 . . . . 74.01 112.393 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -108.46 125.78 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 54.1 110.839 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -104.39 124.63 49.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.52 110.862 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -65.34 -66.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.2 90.34 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.109 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.62 -44.39 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.45 111.071 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.44 -98.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 72.2 112.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -102.2 31.63 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 63.13 110.817 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.9 mt -96.6 113.24 24.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 54.53 110.902 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.83 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.53 -0.228 . . . . 61.25 112.53 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -96.56 -73.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 73.21 110.909 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -72.77 172.75 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.881 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 -71.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.73 103.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.173 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.18 -25.97 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.12 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.82 24.45 5.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 51.54 112.522 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -121.08 32.87 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 74.1 110.842 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.63 157.82 16.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.877 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.8 ptm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 40.4 110.906 179.786 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.493 -0.243 . . . . 73.21 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -113.81 96.85 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 52.14 110.919 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -134.52 30.6 3.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -56.31 -69.51 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.953 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.85 90.64 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.027 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.62 -36.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 74.02 111.122 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 -71.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.844 -0.693 . . . . 75.54 112.555 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -133.84 68.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 73.34 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 10' ' ' MET . 4.3 pp -60.3 -29.92 69.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.938 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.414 ' N ' HD12 ' A' ' 9' ' ' LEU . 3.7 ptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 61.01 110.808 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.386 -0.286 . . . . 64.34 112.386 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -133.84 35.35 3.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.933 0.396 . . . . 63.25 110.958 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -79.33 120.16 23.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.887 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -52.07 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.964 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -121.07 90.29 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 65.51 111.058 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.78 -37.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.1 -25.81 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.864 -0.684 . . . . 63.32 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.96 53.7 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 72.34 110.879 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 5' ' ' ALA . 7.9 tp -106.88 88.88 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.845 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.51 110.803 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.538 -0.225 . . . . 61.41 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -136.25 130.66 33.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 73.11 110.825 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -74.77 137.15 41.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -56.49 -64.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.852 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.15 87.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 42.05 111.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.65 -53.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 62.22 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.89 -105.2 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.721 . . . . 41.04 112.493 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -101.15 84.86 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 72.22 110.835 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.83 31.37 6.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 71.15 110.932 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 54.52 110.875 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.443 -0.263 . . . . 63.11 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 55.99 43.7 26.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 74.51 110.878 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.12 134.38 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -52.91 -59.0 5.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.238 -0.437 . . . . 62.13 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.66 87.7 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 64.01 111.086 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.64 -55.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.32 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.99 -86.63 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.875 -0.679 . . . . 72.23 112.555 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -132.03 43.13 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 52.42 110.848 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -91.32 -54.0 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.948 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 65.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.862 0.363 . . . . 73.32 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -95.29 97.73 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.821 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -62.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.5 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.77 103.91 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.098 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.51 -68.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.15 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.88 -62.72 0.14 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.857 -0.687 . . . . 71.22 112.54 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.47 37.43 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 70.34 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.92 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.844 0.354 . . . . 61.02 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -133.52 117.21 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -65.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.92 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.29 100.65 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.04 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.06 -29.87 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 74.14 111.119 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.6 -97.73 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.88 -0.676 . . . . 43.34 112.601 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -87.1 53.05 2.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 71.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.883 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.945 0.402 . . . . 73.12 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -113.18 130.62 56.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.812 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -61.64 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.42 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.76 103.63 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 73.13 111.138 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 p -78.57 -26.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 70.43 111.14 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.8 29.23 3.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.803 -0.713 . . . . 51.3 112.437 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -131.3 33.39 4.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 74.33 110.874 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.964 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.902 0.382 . . . . 74.13 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -123.52 66.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 61.54 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -68.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.91 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.76 93.0 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.98 -31.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 44.23 111.089 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 -44.22 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.436 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -81.58 58.16 3.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 74.34 110.838 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.916 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.857 0.361 . . . . 74.32 110.864 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -132.66 68.89 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.898 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -68.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.777 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -140.27 92.76 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 50.21 111.181 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.0 -32.49 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 74.44 111.095 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.75 -19.67 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 74.4 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -131.36 78.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 62.55 110.861 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.777 HD22 ' HB1' ' A' ' 5' ' ' ALA . 1.4 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.51 110.876 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.896 0.379 . . . . 74.34 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 57.39 38.2 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.856 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -62.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.58 105.52 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.094 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.48 -29.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.123 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.77 -19.69 3.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.847 -0.692 . . . . 55.23 112.467 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.494 ' C ' HD22 ' A' ' 9' ' ' LEU . 27.1 m170 -95.43 47.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 74.23 110.815 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.494 HD22 ' C ' ' A' ' 8' ' ' HIS . 4.5 mm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 71.04 110.895 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.858 0.361 . . . . 73.53 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -74.82 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 75.12 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -71.18 -69.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.939 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.91 92.07 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.5 111.108 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.51 -35.42 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.23 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.45 -106.02 0.23 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 53.35 112.562 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -107.63 28.11 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 65.24 110.856 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.943 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.8 0.333 . . . . 74.52 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -68.89 104.63 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -61.73 -70.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.47 91.05 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 63.33 111.121 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.95 -35.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 63.21 111.025 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.55 -33.61 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 55.03 112.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -89.44 52.79 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 75.15 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.23 110.862 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.876 0.37 . . . . 41.32 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -80.42 147.56 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.863 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.8 92.87 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.22 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.97 -68.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 64.11 111.107 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.18 35.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.827 -0.701 . . . . 32.41 112.521 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -131.61 30.12 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 74.13 110.857 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 74.14 111.026 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.834 0.35 . . . . 73.41 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -94.26 137.86 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 70.13 110.908 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -58.1 7.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.17 92.63 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 70.04 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.1 t -53.34 -61.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 53.45 110.967 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.25 -71.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.874 -0.679 . . . . 45.0 112.585 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -107.88 65.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 74.12 110.846 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.52 110.929 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.861 0.362 . . . . 71.44 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -149.41 119.66 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.859 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -69.05 -69.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.69 91.63 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.54 111.141 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.8 t -52.99 -39.16 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 61.3 111.083 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.21 -105.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 61.14 112.525 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -104.73 80.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 72.21 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.43 111.004 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.864 0.364 . . . . 75.33 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -62.19 139.85 58.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.22 110.895 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 75.03 110.857 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.41 106.61 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.089 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.726 HG13 ' H ' ' A' ' 8' ' ' HIS . 7.7 p -93.55 -27.33 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 64.32 111.208 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.51 -20.71 20.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 52.41 112.463 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.726 ' H ' HG13 ' A' ' 6' ' ' VAL . 13.7 t60 -89.56 57.38 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 71.3 110.884 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 74.01 110.939 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 54.1 110.839 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -104.39 124.63 49.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.52 110.862 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -65.34 -66.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.2 90.34 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.109 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.62 -44.39 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.45 111.071 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.44 -98.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 72.2 112.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -102.2 31.63 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 63.13 110.817 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 54.53 110.902 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.9 m120 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 73.21 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -72.77 172.75 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.881 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 -71.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.73 103.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.173 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.18 -25.97 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.12 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.82 24.45 5.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 51.54 112.522 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -121.08 32.87 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 74.1 110.842 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.877 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 m120 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.946 0.403 . . . . 52.14 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -134.52 30.6 3.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -56.31 -69.51 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.953 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.85 90.64 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.027 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.62 -36.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 74.02 111.122 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 -71.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.844 -0.693 . . . . 75.54 112.555 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -133.84 68.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 73.34 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.938 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.933 0.396 . . . . 63.25 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -79.33 120.16 23.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.887 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -52.07 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.964 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -121.07 90.29 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 65.51 111.058 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.78 -37.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.1 -25.81 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.864 -0.684 . . . . 63.32 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.96 53.7 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 72.34 110.879 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 5' ' ' ALA . 7.9 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.845 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.866 0.365 . . . . 73.11 110.825 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -74.77 137.15 41.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -56.49 -64.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.852 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.15 87.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 42.05 111.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.65 -53.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 62.22 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.89 -105.2 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.721 . . . . 41.04 112.493 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -101.15 84.86 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 72.22 110.835 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 71.15 110.932 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.841 0.353 . . . . 74.51 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.12 134.38 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -52.91 -59.0 5.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.238 -0.437 . . . . 62.13 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.66 87.7 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 64.01 111.086 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.64 -55.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.32 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.99 -86.63 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.875 -0.679 . . . . 72.23 112.555 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -132.03 43.13 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 52.42 110.848 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.948 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.454 -0.258 . . . . 62.54 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -103.99 138.46 40.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 73.32 110.871 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -95.29 97.73 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.821 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -62.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.5 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.77 103.91 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.098 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.51 -68.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 72.15 111.054 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.88 -62.72 0.14 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.857 -0.687 . . . . 71.22 112.54 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.47 37.43 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 70.34 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tt -110.7 135.94 50.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.92 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.3 ttm . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 62.15 110.837 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.498 -0.241 . . . . 64.21 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.77 -30.38 11.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 61.02 110.927 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -133.52 117.21 16.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.85 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -65.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.92 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.29 100.65 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.04 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.06 -29.87 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 74.14 111.119 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.6 -97.73 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.88 -0.676 . . . . 43.34 112.601 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -87.1 53.05 2.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 71.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tp 62.86 41.13 9.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.883 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 72.45 110.853 179.81 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.391 -0.284 . . . . 74.15 112.391 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -116.25 -31.04 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 73.12 110.946 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -113.18 130.62 56.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.812 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -61.64 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.42 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.76 103.63 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 73.13 111.138 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 p -78.57 -26.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 70.43 111.14 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.8 29.23 3.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.803 -0.713 . . . . 51.3 112.437 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -131.3 33.39 4.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 74.33 110.874 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.8 mt -125.41 74.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.964 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.6 mtp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 65.33 110.895 179.818 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.514 -0.235 . . . . 60.14 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -124.73 162.43 24.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 74.13 110.85 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -123.52 66.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 61.54 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -68.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.91 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.76 93.0 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.98 -31.69 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 44.23 111.089 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.45 -44.22 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.436 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -81.58 58.16 3.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 74.34 110.838 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 tt -125.13 131.69 53.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.916 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.867 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.453 -0.259 . . . . 54.32 112.453 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -95.2 80.15 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 74.32 110.864 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -132.66 68.89 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.898 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -68.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.951 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.777 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -140.27 92.76 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 50.21 111.181 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.0 -32.49 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 74.44 111.095 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.75 -19.67 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 74.4 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -131.36 78.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 62.55 110.861 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.777 HD22 ' HB1' ' A' ' 5' ' ' ALA . 1.4 pt? -110.77 -26.31 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.51 110.876 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.859 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.196 0 N-CA-C 112.499 -0.241 . . . . 64.01 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -97.98 82.43 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 74.34 110.912 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 57.39 38.2 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.856 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -62.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.58 105.52 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.094 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.48 -29.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.123 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.77 -19.69 3.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.847 -0.692 . . . . 55.23 112.467 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.494 ' C ' HD22 ' A' ' 9' ' ' LEU . 27.1 m170 -95.43 47.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 74.23 110.815 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.494 HD22 ' C ' ' A' ' 8' ' ' HIS . 4.5 mm? -125.67 162.03 25.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 71.04 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.897 179.794 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.498 -0.241 . . . . 72.53 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -87.09 -48.22 8.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.858 0.361 . . . . 73.53 110.882 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -74.82 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 75.12 110.858 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -71.18 -69.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.939 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.91 92.07 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 71.5 111.108 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.51 -35.42 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.23 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.45 -106.02 0.23 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.851 -0.69 . . . . 53.35 112.562 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -107.63 28.11 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 65.24 110.856 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 tp -84.68 117.91 24.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.943 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 71.45 110.882 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.476 -0.249 . . . . 74.22 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -84.31 -34.54 23.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 74.52 110.868 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -68.89 104.63 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -61.73 -70.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.47 91.05 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 63.33 111.121 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 p -51.95 -35.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 63.21 111.025 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.55 -33.61 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 55.03 112.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -89.44 52.79 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 75.15 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.4 150.9 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.23 110.862 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.4 mtt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 63.42 110.93 179.725 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.406 -0.278 . . . . 41.01 112.406 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -125.43 66.15 1.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.876 0.37 . . . . 41.32 110.88 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -80.42 147.56 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.863 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -70.24 -68.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 75.2 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.8 92.87 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.22 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.97 -68.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 64.11 111.107 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.18 35.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.827 -0.701 . . . . 32.41 112.521 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -131.61 30.12 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 74.13 110.857 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 tp -77.68 139.16 39.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 74.14 111.026 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 63.2 110.828 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.429 -0.268 . . . . 53.41 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -104.67 -71.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.41 110.903 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -94.26 137.86 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 70.13 110.908 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -58.1 7.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.17 92.63 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 70.04 111.115 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.1 t -53.34 -61.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 53.45 110.967 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.25 -71.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.874 -0.679 . . . . 45.0 112.585 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -107.88 65.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 74.12 110.846 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.55 124.55 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 72.52 110.929 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 65.54 110.937 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.44 -0.264 . . . . 70.14 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -59.85 -29.05 68.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 71.44 110.856 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -149.41 119.66 7.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.859 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -69.05 -69.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.69 91.63 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.54 111.141 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.8 t -52.99 -39.16 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 61.3 111.083 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.21 -105.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 61.14 112.525 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -104.73 80.4 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 72.21 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.88 164.84 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.43 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 61.42 110.856 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.538 -0.225 . . . . 40.0 112.538 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -125.34 80.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 75.33 110.856 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -62.19 139.85 58.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.22 110.895 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 75.03 110.857 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.41 106.61 3.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.089 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.726 HG13 ' H ' ' A' ' 8' ' ' HIS . 7.7 p -93.55 -27.33 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 64.32 111.208 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.51 -20.71 20.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 52.41 112.463 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.726 ' H ' HG13 ' A' ' 6' ' ' VAL . 13.7 t60 -89.56 57.38 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 71.3 110.884 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -119.72 127.24 52.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 74.01 110.939 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.4 ttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.916 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.393 -0.283 . . . . 74.01 112.393 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -108.46 125.78 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 54.1 110.839 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -104.39 124.63 49.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 61.52 110.862 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -65.34 -66.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.2 90.34 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.109 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.62 -44.39 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.45 111.071 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.44 -98.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 72.2 112.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -102.2 31.63 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 63.13 110.817 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.9 mt -96.6 113.24 24.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 54.53 110.902 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.83 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.53 -0.228 . . . . 61.25 112.53 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -96.56 -73.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 73.21 110.909 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -72.77 172.75 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.881 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 -71.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.73 103.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.173 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.18 -25.97 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.12 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.82 24.45 5.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 51.54 112.522 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -121.08 32.87 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 74.1 110.842 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.63 157.82 16.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.877 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.8 ptm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 40.4 110.906 179.786 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.493 -0.243 . . . . 73.21 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -113.81 96.85 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 52.14 110.919 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -134.52 30.6 3.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -56.31 -69.51 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.953 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.85 90.64 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.027 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.62 -36.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 74.02 111.122 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 -71.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.844 -0.693 . . . . 75.54 112.555 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -133.84 68.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 73.34 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 10' ' ' MET . 4.3 pp -60.3 -29.92 69.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.938 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.414 ' N ' HD12 ' A' ' 9' ' ' LEU . 3.7 ptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 61.01 110.808 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.386 -0.286 . . . . 64.34 112.386 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -133.84 35.35 3.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.933 0.396 . . . . 63.25 110.958 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -79.33 120.16 23.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.887 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -52.07 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.964 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -121.07 90.29 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 65.51 111.058 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 p -51.78 -37.53 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.1 -25.81 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.864 -0.684 . . . . 63.32 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.96 53.7 2.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.33 . . . . 72.34 110.879 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 5' ' ' ALA . 7.9 tp -106.88 88.88 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.845 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.51 110.803 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.538 -0.225 . . . . 61.41 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -136.25 130.66 33.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 73.11 110.825 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -74.77 137.15 41.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -56.49 -64.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.852 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.15 87.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 42.05 111.056 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.65 -53.1 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 62.22 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.89 -105.2 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.787 -0.721 . . . . 41.04 112.493 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -101.15 84.86 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 72.22 110.835 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.83 31.37 6.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 71.15 110.932 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 54.52 110.875 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.443 -0.263 . . . . 63.11 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 55.99 43.7 26.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 74.51 110.878 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.12 134.38 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -52.91 -59.0 5.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.238 -0.437 . . . . 62.13 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.66 87.7 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 64.01 111.086 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.64 -55.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 61.32 111.146 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.99 -86.63 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.875 -0.679 . . . . 72.23 112.555 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -132.03 43.13 3.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 52.42 110.848 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -91.32 -54.0 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.948 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 65.0 110.878 179.841 . . . . . . . . 1 1 . 1 stop_ save_