data_2i9m_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 2i9m _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.708 0.289 . . . . 64.239999999999995 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.74 -21.74 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 62.100000000000001 110.865 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.67 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 111.133 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 2.9 t80 -77.34 -71.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.510000000000005 110.909 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -42.15 -38.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 75.099999999999994 111.123 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -59.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 75.310000000000002 110.931 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.030000000000001 110.929 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm -36.1 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.114 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.1 -46.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 111.115 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.67 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -23.89 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.219999999999999 111.128 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.349999999999994 110.867 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.773 0.32 . . . . 73.439999999999998 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -93.56 -22.43 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.88 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.72 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 111.103 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE1' HD13 ' A' ' 10' ' ' ILE . 3.0 t80 -80.89 -70.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 54.399999999999999 110.888 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.76 -31.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.116 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -52.47 -59.77 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.911 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -57.06 -58.04 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.874 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.54 HD13 ' CE1' ' A' ' 6' ' ' TYR . 2.2 mm -36.12 -70.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.349999999999994 111.155 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.11 -46.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 111.106 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.45 -62.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.19 -16.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.2 mtm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.874 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.738 0.304 . . . . 74.5 111.101 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.28 -22.41 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 74.150000000000006 110.894 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.42 -22.86 20.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 72.420000000000002 111.094 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 7' ' ' ALA . 3.8 t80 -86.08 -72.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.952 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -45.11 -35.44 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 63.329999999999998 111.118 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -44.95 -62.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 74.349999999999994 110.898 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.88 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.140000000000001 110.835 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm -36.05 -70.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 72.019999999999996 111.112 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.92 -46.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 64.349999999999994 111.095 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.36 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -17.73 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.109999999999999 111.062 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.846 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.784 0.326 . . . . 73.409999999999997 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.69 -22.55 24.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.864 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.92 -30.02 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.109999999999999 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.5 t80 -76.69 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 110.908 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.505 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -40.89 -45.48 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 64.200000000000003 111.076 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -37.02 -62.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.874 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 2.6 mtt180 -55.75 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.450000000000003 110.91 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm -36.04 -70.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 71.040000000000006 111.167 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.06 -46.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 111.081 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.42 -62.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.200000000000003 110.92 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.83 -29.59 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.07 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 71.420000000000002 110.882 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.72 0.295 . . . . 64.519999999999996 111.046 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.65 -21.8 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.239999999999995 110.861 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.5 -27.46 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 65.510000000000005 111.079 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.43 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.7 t80 -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.200000000000003 110.896 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.43 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.56 -40.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 74.239999999999995 111.09 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -43.79 -58.65 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.914 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ILE . 1.9 mtt-85 -58.03 -61.92 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.85 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -34.72 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.138 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.56 -46.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 71.129999999999995 111.065 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.41 -62.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.329999999999998 110.9 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.53 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 51.409999999999997 111.105 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.329999999999998 110.916 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.761 0.315 . . . . 72.510000000000005 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.6 -22.46 28.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 63.399999999999999 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.12 -35.43 18.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 63.399999999999999 111.076 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.11 -70.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 73.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.200000000000003 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -72.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.5 110.909 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -55.06 -59.03 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.319999999999993 110.87 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . 2.2 mm -36.7 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 111.147 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.69 -46.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 71.519999999999996 111.093 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.55 -63.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 75.030000000000001 110.866 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.67 -14.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 65.329999999999998 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.712 0.291 . . . . 73.430000000000007 111.083 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.86 -22.51 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.109999999999999 110.861 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.34 -37.76 18.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 111.111 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.03 -70.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.310000000000002 110.915 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.09 -20.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 111.07 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.65 -60.95 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.4 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.409999999999997 111.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.05 -47.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.140000000000001 111.045 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.51 -63.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.44 -30.08 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 74.439999999999998 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 62.329999999999998 110.839 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.737 0.303 . . . . 74.040000000000006 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -83.72 -22.42 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 70.420000000000002 110.834 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.73 -33.05 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.549999999999997 111.084 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.425 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -81.69 -70.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.935 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.08 -20.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 71.219999999999999 111.142 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 71.219999999999999 110.918 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 75.409999999999997 110.83 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' N ' HD11 ' A' ' 10' ' ' ILE . 2.4 mm -35.48 -70.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.329999999999998 111.164 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.94 -47.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 111.073 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.39 -63.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 75.409999999999997 110.914 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -27.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.210000000000001 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.140000000000001 110.847 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.757 0.313 . . . . 70.340000000000003 111.085 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.0 -22.32 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 71.400000000000006 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.9 -34.35 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.400000000000006 111.114 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.27 -70.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.917 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -45.97 -20.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 71.319999999999993 111.111 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 6' ' ' TYR . 15.2 tptt -45.17 -70.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 73.439999999999998 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.79 -60.88 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 74.420000000000002 110.865 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' N ' HD11 ' A' ' 10' ' ' ILE . 2.4 mm -35.47 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.02 -46.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.063 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -63.37 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 64.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.95 -20.76 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 74.150000000000006 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.140000000000001 110.843 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.765 0.317 . . . . 74.219999999999999 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.13 -22.28 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 65.319999999999993 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.71 -32.09 19.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 111.075 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.463 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.5 t80 -80.98 -70.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 71.310000000000002 110.936 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.81 -23.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 73.219999999999999 111.053 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -41.03 -67.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 72.109999999999999 110.93 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.11 -62.11 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.839 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.71 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.340000000000003 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.67 -47.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 71.219999999999999 111.083 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.19 -63.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 60.299999999999997 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.34 -19.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.540000000000006 111.105 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.86 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.733 0.301 . . . . 45.520000000000003 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -87.62 -22.51 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 70.019999999999996 110.886 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.84 -28.23 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 72.549999999999997 111.128 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 4.5 t80 -83.83 -69.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 65.420000000000002 110.908 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.405 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.19 -20.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 62.439999999999998 111.073 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -45.5 -70.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.919 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.58 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.856 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.46 HD12 ' N ' ' A' ' 10' ' ' ILE . 2.4 mm -35.59 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 111.15 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.85 -47.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.107 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -63.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 71.439999999999998 110.888 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.57 -31.35 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 70.450000000000003 111.118 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 110.893 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.814 0.34 . . . . 75.299999999999997 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -81.2 -21.74 39.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.230000000000004 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.96 -29.67 15.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.099999999999994 111.124 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 10' ' ' ILE . 3.2 t80 -76.09 -70.39 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 75.540000000000006 110.925 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.489 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.38 -43.77 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.1 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -56.15 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.899 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -58.69 -59.07 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.349999999999994 110.883 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' A' ' 6' ' ' TYR . 2.4 mm -34.73 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 111.127 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.4 -47.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 111.131 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.47 -63.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.04 -9.92 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 111.086 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.84 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.748 0.309 . . . . 71.5 111.112 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.5 mt-10 -100.46 -22.51 15.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.929 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -33.23 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 63.329999999999998 111.126 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.65 -70.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 75.120000000000005 110.93 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 72.230000000000004 111.069 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -55.52 -70.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.099999999999994 110.92 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.49 -59.01 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 75.200000000000003 110.891 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' ALA . 2.2 mm -36.01 -70.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 73.420000000000002 111.164 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.98 -46.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 111.097 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.69 -62.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.319999999999993 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 -11.2 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.400000000000006 111.093 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 14' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 74.430000000000007 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.748 0.308 . . . . 63.119999999999997 111.111 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -91.08 -22.33 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 110.889 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.1 -23.53 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 75.239999999999995 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.462 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 4.0 t80 -85.12 -71.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.905 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.36 -44.58 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 75.030000000000001 111.122 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' ALA . 1.2 mmtt -34.22 -56.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.898 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ILE . 11.3 mmm-85 -66.23 -66.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.450000000000003 110.885 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.45 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.3 mm -34.18 -70.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 73.219999999999999 111.117 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.07 -47.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 111.122 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.45 -62.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 53.329999999999998 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 62.049999999999997 111.118 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.349999999999994 110.885 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.796 0.331 . . . . 72.319999999999993 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.76 -22.19 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 110.892 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.74 -25.57 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 111.097 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.6 t80 -81.82 -70.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 75.099999999999994 110.961 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.46 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -43.74 -44.28 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 111.107 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -34.25 -56.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.329999999999998 110.882 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -65.91 -66.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 70.25 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.89 -70.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 62.009999999999998 111.143 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.22 -47.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.430000000000007 111.113 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.5 -62.93 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 75.019999999999996 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -19.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 55.229999999999997 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 110.866 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.767 0.318 . . . . 71.010000000000005 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -86.4 -21.59 27.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.928 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.22 -28.17 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.310000000000002 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -79.48 -72.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 75.230000000000004 110.908 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -42.7 -44.2 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 75.420000000000002 111.071 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 5.5 tttp -34.17 -56.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 74.540000000000006 110.894 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ILE . 18.7 mmt180 -66.19 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 75.219999999999999 110.87 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.492 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.9 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.209999999999994 111.158 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.0 -47.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 64.239999999999995 111.168 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.52 -63.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 72.450000000000003 110.905 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.29 -18.95 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.439999999999998 111.125 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 55.32 110.895 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.713 0.292 . . . . 71.230000000000004 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -78.57 -25.91 45.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 70.109999999999999 110.903 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 9' ' ' ARG . . . -96.95 -3.97 40.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 70.530000000000001 111.076 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 7' ' ' ALA . 8.6 t80 -117.7 -66.59 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.099999999999994 110.979 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.492 ' N ' ' CD1' ' A' ' 6' ' ' TYR . . . -46.51 -20.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 63.299999999999997 111.117 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -44.6 -70.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.909 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -56.51 -61.46 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.912 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 10' ' ' ILE . 2.4 mm -35.18 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.113 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.19 -47.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 111.07 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.28 -63.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.420000000000002 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.02 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 64.120000000000005 111.075 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.902 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.714 0.292 . . . . 73.340000000000003 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -92.04 -21.25 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.230000000000004 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.64 -21.55 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 72.329999999999998 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -86.92 -70.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.928 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -44.02 -44.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.210000000000001 111.103 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -34.3 -56.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.510000000000005 110.874 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 34.5 mmt-85 -66.2 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.209999999999994 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.3 mm -34.23 -70.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 75.319999999999993 111.087 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.11 -47.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 111.088 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.34 -62.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 110.882 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.86 -33.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.340000000000003 111.132 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.5 mtm . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.871 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.738 0.304 . . . . 72.230000000000004 111.116 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.6 -20.59 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 70.109999999999999 110.863 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.36 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.420000000000002 111.084 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.428 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.54 -70.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 110.941 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.428 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.01 -43.11 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 74.510000000000005 111.095 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -40.15 -58.89 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.430000000000007 110.914 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.22 -61.71 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.864 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.3 mm -33.76 -70.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 71.230000000000004 111.119 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.19 -38.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 63.409999999999997 111.097 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mt-10 -75.39 -62.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.926 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -11.75 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.019999999999996 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ILE . 5.1 ptt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.340000000000003 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.781 0.324 . . . . 72.340000000000003 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.2 -22.77 22.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.18 -28.64 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.230000000000004 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 6.9 t80 -90.4 -69.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 73.540000000000006 110.937 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -39.97 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 111.096 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -38.39 -64.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.120000000000005 110.87 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.74 -65.23 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.420000000000002 110.879 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm -34.55 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 111.141 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.93 -40.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 65.010000000000005 111.081 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mt-10 -75.23 -62.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.877 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.87 -9.88 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 73.420000000000002 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 ptt? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.530000000000001 110.848 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.89 0.376 . . . . 71.420000000000002 110.803 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.85 88.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 63.149999999999999 111.12 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.83 -17.09 63.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 64.239999999999995 111.039 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.74 -21.74 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 62.100000000000001 110.865 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.67 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 111.133 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 2.9 t80 -77.34 -71.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.510000000000005 110.909 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -42.15 -38.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 75.099999999999994 111.123 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -59.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 75.310000000000002 110.931 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.030000000000001 110.929 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm -36.1 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.114 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.1 -46.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 111.115 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.67 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -23.89 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.219999999999999 111.128 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.71 20.61 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.349999999999994 110.867 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.25 -66.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 72.430000000000007 111.061 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttp 38.56 51.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 74.25 110.926 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 72.329999999999998 112.476 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 4' ' ' GLU . 7.7 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.923 0.392 . . . . 72.510000000000005 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.68 -21.22 59.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 72.540000000000006 111.083 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.58 -14.93 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 111.13 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 1' ' ' SER . 6.4 pt-20 -93.56 -22.43 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.88 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.72 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 111.103 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE1' HD13 ' A' ' 10' ' ' ILE . 3.0 t80 -80.89 -70.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 54.399999999999999 110.888 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.76 -31.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.116 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -52.47 -59.77 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.911 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -57.06 -58.04 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.874 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.54 HD13 ' CE1' ' A' ' 6' ' ' TYR . 2.2 mm -36.12 -70.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.349999999999994 111.155 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.11 -46.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 111.106 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.45 -62.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.19 -16.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.2 mtm -91.55 22.39 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.06 27.06 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 72.310000000000002 111.079 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 174.75 6.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.140000000000001 110.879 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 74.239999999999995 112.515 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.888 0.375 . . . . 74.239999999999995 110.823 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.66 -21.98 59.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 61.32 111.125 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.37 -11.75 39.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.5 111.101 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.28 -22.41 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 74.150000000000006 110.894 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.42 -22.86 20.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 72.420000000000002 111.094 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 7' ' ' ALA . 3.8 t80 -86.08 -72.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.952 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -45.11 -35.44 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 63.329999999999998 111.118 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -44.95 -62.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 74.349999999999994 110.898 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.88 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.140000000000001 110.835 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm -36.05 -70.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 72.019999999999996 111.112 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.92 -46.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 64.349999999999994 111.095 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.36 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -17.73 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.109999999999999 111.062 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mtp -98.7 26.82 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.846 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.23 -40.86 1.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.049999999999997 111.042 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.91 -33.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 75.219999999999999 110.959 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 63.020000000000003 112.47 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.875 0.369 . . . . 73.310000000000002 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.49 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.209999999999994 111.096 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.74 -17.33 60.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 73.409999999999997 111.12 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.69 -22.55 24.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.864 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.92 -30.02 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.109999999999999 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.5 t80 -76.69 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 110.908 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.505 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -40.89 -45.48 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 64.200000000000003 111.076 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -37.02 -62.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.874 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 2.6 mtt180 -55.75 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.450000000000003 110.91 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm -36.04 -70.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 71.040000000000006 111.167 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.06 -46.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 111.081 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.42 -62.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.200000000000003 110.92 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.83 -29.59 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.07 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.44 15.87 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 71.420000000000002 110.882 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.69 27.25 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 111.138 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 115.01 19.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 73.200000000000003 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 65.349999999999994 112.478 179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.371 . . . . 75.040000000000006 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.58 90.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 111.099 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.81 -15.72 43.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 64.519999999999996 111.046 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.65 -21.8 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.239999999999995 110.861 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.5 -27.46 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 65.510000000000005 111.079 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.43 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.7 t80 -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.200000000000003 110.896 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.43 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.56 -40.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 74.239999999999995 111.09 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -43.79 -58.65 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.914 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ILE . 1.9 mtt-85 -58.03 -61.92 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.85 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -34.72 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.138 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.56 -46.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 71.129999999999995 111.065 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.41 -62.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.329999999999998 110.9 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.53 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 51.409999999999997 111.105 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mtp -93.65 19.75 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.329999999999998 110.916 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.45 -33.64 5.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 111.056 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -56.52 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 73.219999999999999 110.874 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 72.109999999999999 112.476 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 74.450000000000003 110.834 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.73 -48.15 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 74.040000000000006 111.074 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.57 -17.3 62.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 72.510000000000005 111.119 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.6 -22.46 28.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 63.399999999999999 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.12 -35.43 18.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 63.399999999999999 111.076 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.11 -70.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 73.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.200000000000003 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -72.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.5 110.909 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -55.06 -59.03 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.319999999999993 110.87 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 11' ' ' ALA . 2.2 mm -36.7 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 111.147 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.69 -46.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 71.519999999999996 111.093 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.55 -63.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 75.030000000000001 110.866 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.67 -14.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 65.329999999999998 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.08 25.62 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 110.877 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.62 -50.57 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 65.329999999999998 111.046 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -48.08 136.51 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.929 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 74.219999999999999 112.502 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.888 0.375 . . . . 62.5 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.67 -53.41 58.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.310000000000002 111.127 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -17.12 63.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 73.430000000000007 111.083 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.86 -22.51 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.109999999999999 110.861 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.34 -37.76 18.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 111.111 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.03 -70.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.310000000000002 110.915 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.09 -20.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 111.07 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.65 -60.95 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.4 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.409999999999997 111.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.05 -47.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.140000000000001 111.045 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.51 -63.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.44 -30.08 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 74.439999999999998 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 85.9 mtp -84.21 20.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 62.329999999999998 110.839 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.98 -33.36 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 71.349999999999994 111.12 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -46.03 -37.2 6.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.209999999999994 110.891 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 64.200000000000003 112.491 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.412 ' CB ' ' HG3' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.868 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.76 -55.5 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.140000000000001 111.061 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.72 -17.25 63.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 74.040000000000006 111.1 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 1' ' ' SER . 29.7 mt-10 -83.72 -22.42 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 70.420000000000002 110.834 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.73 -33.05 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.549999999999997 111.084 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.425 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -81.69 -70.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.935 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.08 -20.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 71.219999999999999 111.142 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 71.219999999999999 110.918 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 75.409999999999997 110.83 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' N ' HD11 ' A' ' 10' ' ' ILE . 2.4 mm -35.48 -70.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.329999999999998 111.164 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.94 -47.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 111.073 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.39 -63.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 75.409999999999997 110.914 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -27.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.210000000000001 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mtp -95.17 30.56 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.140000000000001 110.847 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.77 -45.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 71.200000000000003 111.091 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -52.89 61.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.140000000000001 110.906 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 71.519999999999996 112.447 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.906 0.384 . . . . 71.340000000000003 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.67 84.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 53.340000000000003 111.129 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.02 -13.33 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 70.340000000000003 111.085 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.0 -22.32 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 71.400000000000006 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.9 -34.35 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.400000000000006 111.114 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.27 -70.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.917 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -45.97 -20.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 71.319999999999993 111.111 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 6' ' ' TYR . 15.2 tptt -45.17 -70.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 73.439999999999998 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.79 -60.88 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 74.420000000000002 110.865 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' N ' HD11 ' A' ' 10' ' ' ILE . 2.4 mm -35.47 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.02 -46.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.063 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -63.37 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 64.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.95 -20.76 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 74.150000000000006 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.2 mtt -94.06 18.58 10.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.140000000000001 110.843 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.55 -30.43 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 72.310000000000002 111.089 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -40.24 148.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.349999999999994 110.924 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 74.430000000000007 112.495 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.836 0.35 . . . . 73.430000000000007 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.52 -44.27 80.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.120000000000005 111.105 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.53 -16.76 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 111.131 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.13 -22.28 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 65.319999999999993 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.71 -32.09 19.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 111.075 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.463 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.5 t80 -80.98 -70.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 71.310000000000002 110.936 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.81 -23.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 73.219999999999999 111.053 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -41.03 -67.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 72.109999999999999 110.93 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.11 -62.11 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.839 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.71 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.340000000000003 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.67 -47.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 71.219999999999999 111.083 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.19 -63.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 60.299999999999997 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.34 -19.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.540000000000006 111.105 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 36.2 mtt -98.96 27.21 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.86 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.87 -35.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 71.510000000000005 111.089 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -79.0 -59.05 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 71.129999999999995 112.454 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 70.109999999999999 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.17 -48.99 70.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.25 111.144 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.35 -17.38 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 45.520000000000003 111.078 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -87.62 -22.51 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 70.019999999999996 110.886 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.84 -28.23 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 72.549999999999997 111.128 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 4.5 t80 -83.83 -69.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 65.420000000000002 110.908 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.405 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.19 -20.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 62.439999999999998 111.073 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -45.5 -70.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.919 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.58 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.856 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.46 HD12 ' N ' ' A' ' 10' ' ' ILE . 2.4 mm -35.59 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 111.15 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.85 -47.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.107 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 15' ' ' ALA . 2.4 mt-10 -62.36 -63.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 71.439999999999998 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.57 -31.35 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 70.450000000000003 111.118 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 mtt -89.22 25.48 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -127.78 -29.3 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 111.142 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -48.47 -32.04 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.92 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 73.200000000000003 112.482 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 74.319999999999993 110.874 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.97 -42.44 68.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 75.5 111.09 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.1 -14.53 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 75.299999999999997 111.111 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 1' ' ' SER . 3.6 mt-10 -81.2 -21.74 39.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.230000000000004 110.874 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.96 -29.67 15.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.099999999999994 111.124 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 10' ' ' ILE . 3.2 t80 -76.09 -70.39 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 75.540000000000006 110.925 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.489 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.38 -43.77 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.1 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -56.15 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 110.899 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -58.69 -59.07 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.349999999999994 110.883 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' A' ' 6' ' ' TYR . 2.4 mm -34.73 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 111.127 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.4 -47.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 111.131 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.47 -63.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.04 -9.92 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 111.086 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -115.29 8.96 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.84 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.14 -39.42 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.200000000000003 111.085 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -77.84 -52.98 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 110.926 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 64.019999999999996 112.485 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 71.409999999999997 110.847 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.07 -20.74 13.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 75.400000000000006 111.094 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.13 -5.85 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.5 111.112 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.5 mt-10 -100.46 -22.51 15.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.929 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -33.23 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 63.329999999999998 111.126 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.65 -70.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 75.120000000000005 110.93 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 72.230000000000004 111.069 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -55.52 -70.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.099999999999994 110.92 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.49 -59.01 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 75.200000000000003 110.891 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' ALA . 2.2 mm -36.01 -70.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 73.420000000000002 111.164 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.98 -46.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 111.097 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.69 -62.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.319999999999993 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 -11.2 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.400000000000006 111.093 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 14' ' ' MET . 0.4 OUTLIER -113.13 9.02 18.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 74.430000000000007 110.845 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.63 -24.27 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 71.129999999999995 111.087 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -50.15 -36.95 32.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 64.030000000000001 112.522 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.45 ' N ' ' HG2' ' A' ' 4' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.853 0.358 . . . . 71.140000000000001 110.896 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.51 -19.04 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 65.340000000000003 111.144 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.18 -17.31 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 63.119999999999997 111.111 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 1' ' ' SER . 6.0 pt-20 -91.08 -22.33 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 110.889 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.1 -23.53 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 75.239999999999995 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.462 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 4.0 t80 -85.12 -71.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.905 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.36 -44.58 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 75.030000000000001 111.122 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' ALA . 1.2 mmtt -34.22 -56.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.898 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ILE . 11.3 mmm-85 -66.23 -66.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.450000000000003 110.885 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.45 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.3 mm -34.18 -70.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 73.219999999999999 111.117 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.07 -47.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 111.122 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.45 -62.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 53.329999999999998 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 62.049999999999997 111.118 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 mtp -87.88 17.7 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.349999999999994 110.885 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.28 -10.05 13.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 64.420000000000002 111.07 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -82.27 52.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.329999999999998 110.919 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.749 . . . . 74.439999999999998 112.486 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.895 0.378 . . . . 73.409999999999997 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.01 75.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 71.319999999999993 111.077 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.2 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.319999999999993 111.105 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.76 -22.19 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 110.892 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.74 -25.57 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 111.097 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.6 t80 -81.82 -70.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 75.099999999999994 110.961 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -43.74 -44.28 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 111.107 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -34.25 -56.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.329999999999998 110.882 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -65.91 -66.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 70.25 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.89 -70.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 62.009999999999998 111.143 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.22 -47.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.430000000000007 111.113 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.5 -62.93 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 75.019999999999996 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -19.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 55.229999999999997 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtt -95.44 23.14 6.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 110.866 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.09 -55.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.105 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -59.91 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 110.89 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 75.340000000000003 112.5 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.882 0.372 . . . . 74.120000000000005 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.69 -48.06 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 75.230000000000004 111.121 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.5 -15.73 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 71.010000000000005 111.135 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -86.4 -21.59 27.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.928 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.22 -28.17 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 73.310000000000002 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -79.48 -72.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 75.230000000000004 110.908 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -42.7 -44.2 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 75.420000000000002 111.071 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 5.5 tttp -34.17 -56.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 74.540000000000006 110.894 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ILE . 18.7 mmt180 -66.19 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 75.219999999999999 110.87 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.492 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.9 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.209999999999994 111.158 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.0 -47.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 64.239999999999995 111.168 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.52 -63.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 72.450000000000003 110.905 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.29 -18.95 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.439999999999998 111.125 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.1 mtm -96.95 22.26 8.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 55.32 110.895 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.63 -24.98 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 71.239999999999995 111.131 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 142.35 56.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.923 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 65.209999999999994 112.484 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.443 ' N ' ' HB2' ' A' ' 4' ' ' GLU . 1.1 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.907 0.384 . . . . 74.310000000000002 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.11 -32.32 15.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 75.109999999999999 111.081 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.31 -18.21 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 71.230000000000004 111.079 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' HB2' ' N ' ' A' ' 1' ' ' SER . 11.4 mt-10 -78.57 -25.91 45.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 70.109999999999999 110.903 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 9' ' ' ARG . . . -96.95 -3.97 40.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 70.530000000000001 111.076 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 7' ' ' ALA . 8.6 t80 -117.7 -66.59 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.099999999999994 110.979 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.492 ' N ' ' CD1' ' A' ' 6' ' ' TYR . . . -46.51 -20.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 63.299999999999997 111.117 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -44.6 -70.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.909 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -56.51 -61.46 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.912 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 10' ' ' ILE . 2.4 mm -35.18 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.113 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.19 -47.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 111.07 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.28 -63.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.420000000000002 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.02 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 64.120000000000005 111.075 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mtt -94.11 24.97 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.902 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.08 -31.77 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 70.310000000000002 111.111 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -45.71 166.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 71.140000000000001 110.948 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 74.420000000000002 112.482 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.457 ' N ' ' HB2' ' A' ' 4' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.928 0.394 . . . . 62.229999999999997 110.872 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.83 -20.88 13.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.040000000000006 111.123 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.69 -6.47 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.340000000000003 111.105 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' HB2' ' N ' ' A' ' 1' ' ' SER . 1.2 mm-40 -92.04 -21.25 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.230000000000004 110.887 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.64 -21.55 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 72.329999999999998 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -86.92 -70.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.928 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -44.02 -44.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.210000000000001 111.103 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -34.3 -56.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.510000000000005 110.874 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 34.5 mmt-85 -66.2 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 73.209999999999994 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.3 mm -34.23 -70.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 75.319999999999993 111.087 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.11 -47.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 111.088 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' ALA . 2.1 mt-10 -62.34 -62.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 110.882 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.86 -33.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.340000000000003 111.132 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.5 mtm -89.19 33.44 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -133.44 -44.03 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 54.140000000000001 111.107 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.78 131.4 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 110.873 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 74.019999999999996 112.484 179.902 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.438 ' N ' ' HG2' ' A' ' 4' ' ' GLU . 1.3 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.837 0.351 . . . . 71.329999999999998 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.61 -17.86 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 111.081 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.17 -14.56 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 72.230000000000004 111.116 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 1' ' ' SER . 5.4 pt-20 -95.6 -20.59 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 70.109999999999999 110.863 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.36 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.420000000000002 111.084 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.428 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.54 -70.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 110.941 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.428 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.01 -43.11 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 74.510000000000005 111.095 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -40.15 -58.89 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.430000000000007 110.914 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.22 -61.71 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.864 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.3 mm -33.76 -70.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 71.230000000000004 111.119 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.19 -38.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 63.409999999999997 111.097 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mt-10 -75.39 -62.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.926 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -11.75 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.019999999999996 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ILE . 5.1 ptt? -104.43 8.52 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.340000000000003 110.886 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -114.6 -48.54 2.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 111.12 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -35.45 -56.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 110.904 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 72.25 112.479 179.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.902 0.382 . . . . 75.200000000000003 110.874 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.48 92.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 71.219999999999999 111.086 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.95 -17.25 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 72.340000000000003 111.148 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.2 -22.77 22.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.18 -28.64 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.230000000000004 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 6.9 t80 -90.4 -69.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 73.540000000000006 110.937 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -39.97 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 111.096 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -38.39 -64.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.120000000000005 110.87 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.74 -65.23 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.420000000000002 110.879 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm -34.55 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 111.141 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.93 -40.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 65.010000000000005 111.081 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mt-10 -75.23 -62.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.877 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.87 -9.88 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 73.420000000000002 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 ptt? -106.72 8.67 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 71.530000000000001 110.848 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.12 -39.59 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.510000000000005 111.089 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -60.36 -48.56 81.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.200000000000003 110.879 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 55.340000000000003 112.495 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.708 0.289 . . . . 43.43 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.74 -21.74 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 60.109999999999999 110.865 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.67 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.509999999999998 111.133 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 2.9 t80 -77.34 -71.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.510000000000005 110.909 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -42.15 -38.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 73.439999999999998 111.123 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -59.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 75.310000000000002 110.931 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.140000000000001 110.929 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.1 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.530000000000001 111.114 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.1 -46.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 111.115 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.67 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -23.89 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.219999999999999 111.128 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.349999999999994 110.867 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.773 0.32 . . . . 64.040000000000006 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -93.56 -22.43 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.88 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.72 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 41.140000000000001 111.103 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.514 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.0 t80 -80.89 -70.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 54.399999999999999 110.888 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.76 -31.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.116 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -52.47 -59.77 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.329999999999998 110.911 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -57.06 -58.04 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.210000000000001 110.874 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.12 -70.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 111.155 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.11 -46.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 62.340000000000003 111.106 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.45 -62.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.19 -16.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 72.409999999999997 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.2 mtm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.874 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.738 0.304 . . . . 74.5 111.101 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.28 -22.41 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 73.5 110.894 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.42 -22.86 20.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 72.319999999999993 111.094 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 7' ' ' ALA . 3.8 t80 -86.08 -72.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.952 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -45.11 -35.44 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 63.329999999999998 111.118 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -44.95 -62.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 74.349999999999994 110.898 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.88 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 50.350000000000001 110.835 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.05 -70.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 72.019999999999996 111.112 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.92 -46.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 64.329999999999998 111.095 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.36 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -17.73 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.109999999999999 111.062 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.846 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.784 0.326 . . . . 73.409999999999997 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.69 -22.55 24.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.864 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.92 -30.02 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 61.549999999999997 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.5 t80 -76.69 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 71.329999999999998 110.908 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.505 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -40.89 -45.48 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 55.530000000000001 111.076 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -37.02 -62.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.874 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 2.6 mtt180 -55.75 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.450000000000003 110.91 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.53 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.04 -70.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 52.240000000000002 111.167 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.06 -46.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 111.081 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.42 -62.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.200000000000003 110.92 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.83 -29.59 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.200000000000003 111.07 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.882 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.72 0.295 . . . . 54.439999999999998 111.046 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.65 -21.8 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.099999999999994 110.861 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.5 -27.46 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 52.450000000000003 111.079 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.594 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.7 t80 -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 64.030000000000001 110.896 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.43 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.56 -40.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 74.239999999999995 111.09 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -43.79 -58.65 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.914 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ILE . 1.9 mtt-85 -58.03 -61.92 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.85 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.4 mm -34.72 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.138 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.56 -46.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 65.120000000000005 111.065 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.41 -62.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.329999999999998 110.9 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.53 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 51.409999999999997 111.105 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.916 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.761 0.315 . . . . 72.510000000000005 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.6 -22.46 28.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 60.5 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.12 -35.43 18.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 63.399999999999999 111.076 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.11 -70.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 73.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.200000000000003 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -72.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 71.239999999999995 110.909 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -55.06 -59.03 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 53.340000000000003 110.87 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.7 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.450000000000003 111.147 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.69 -46.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.310000000000002 111.093 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.55 -63.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.866 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.67 -14.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 43.229999999999997 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.712 0.291 . . . . 55.340000000000003 111.083 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.86 -22.51 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.109999999999999 110.861 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.34 -37.76 18.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 111.111 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.03 -70.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 54.240000000000002 110.915 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.09 -20.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 111.07 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.239999999999995 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.65 -60.95 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.329999999999998 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.4 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.340000000000003 111.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.05 -47.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.140000000000001 111.045 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.51 -63.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.44 -30.08 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 74.439999999999998 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 50.399999999999999 110.839 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.737 0.303 . . . . 74.040000000000006 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -83.72 -22.42 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 70.420000000000002 110.834 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.73 -33.05 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 64.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.425 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -81.69 -70.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.420000000000002 110.935 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.08 -20.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 70.019999999999996 111.142 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 70.400000000000006 110.918 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.299999999999997 110.83 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.498 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.48 -70.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.329999999999998 111.164 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.94 -47.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 111.073 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.39 -63.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 75.409999999999997 110.914 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -27.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.210000000000001 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.140000000000001 110.847 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.757 0.313 . . . . 70.340000000000003 111.085 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.0 -22.32 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 64.140000000000001 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.9 -34.35 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.219999999999999 111.114 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.27 -70.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.5 110.917 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -45.97 -20.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 71.319999999999993 111.111 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 6' ' ' TYR . 15.2 tptt -45.17 -70.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.79 -60.88 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 65.040000000000006 110.865 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.47 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 61.130000000000003 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.02 -46.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.063 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -63.37 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 64.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.95 -20.76 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 74.150000000000006 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.419 ' HG3' HG22 ' A' ' 10' ' ' ILE . 2.2 mtt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 62.420000000000002 110.843 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.765 0.317 . . . . 74.219999999999999 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.13 -22.28 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 51.020000000000003 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.71 -32.09 19.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 111.075 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.5 t80 -80.98 -70.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.209999999999994 110.936 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.81 -23.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 55.030000000000001 111.053 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -41.03 -67.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 71.420000000000002 110.93 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.11 -62.11 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.839 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.71 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 63.229999999999997 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.67 -47.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 71.129999999999995 111.083 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.19 -63.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 60.299999999999997 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.34 -19.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.540000000000006 111.105 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.86 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.733 0.301 . . . . 45.520000000000003 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -87.62 -22.51 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 70.019999999999996 110.886 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.84 -28.23 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 72.549999999999997 111.128 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 4.5 t80 -83.83 -69.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 63.229999999999997 110.908 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.405 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.19 -20.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 62.439999999999998 111.073 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -45.5 -70.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.919 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.58 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 60.119999999999997 110.856 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.59 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 64.120000000000005 111.15 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.85 -47.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.420000000000002 111.107 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -63.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 71.120000000000005 110.888 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.57 -31.35 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 43.119999999999997 111.118 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 61.530000000000001 110.893 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.814 0.34 . . . . 72.319999999999993 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -81.2 -21.74 39.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.230000000000004 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.96 -29.67 15.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 111.124 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.712 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.2 t80 -76.09 -70.39 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 71.219999999999999 110.925 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.489 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.38 -43.77 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.200000000000003 111.1 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -56.15 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 60.420000000000002 110.899 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -58.69 -59.07 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.349999999999994 110.883 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.4 mm -34.73 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 65.400000000000006 111.127 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.4 -47.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.430000000000007 111.131 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.47 -63.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.04 -9.92 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 111.086 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.84 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.748 0.309 . . . . 52.299999999999997 111.112 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.5 mt-10 -100.46 -22.51 15.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.929 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -33.23 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 54.340000000000003 111.126 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.65 -70.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 75.120000000000005 110.93 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 61.219999999999999 111.069 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -55.52 -70.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.099999999999994 110.92 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.49 -59.01 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 75.200000000000003 110.891 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.532 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.01 -70.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 62.109999999999999 111.164 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.98 -46.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 111.097 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.69 -62.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.319999999999993 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 -11.2 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 61.530000000000001 111.093 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 14' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 62.25 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.748 0.308 . . . . 63.119999999999997 111.111 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -91.08 -22.33 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.889 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.1 -23.53 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 73.049999999999997 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.465 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 4.0 t80 -85.12 -71.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.905 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.36 -44.58 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 73.5 111.122 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' ALA . 1.2 mmtt -34.22 -56.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.898 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ILE . 11.3 mmm-85 -66.23 -66.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.450000000000003 110.885 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.3 mm -34.18 -70.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 55.149999999999999 111.117 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.07 -47.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 111.122 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.45 -62.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 53.329999999999998 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 62.049999999999997 111.118 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 63.109999999999999 110.885 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.796 0.331 . . . . 63.340000000000003 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.76 -22.19 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 110.892 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.74 -25.57 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 30.199999999999999 111.097 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.6 t80 -81.82 -70.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 75.099999999999994 110.961 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.46 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -43.74 -44.28 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 63.32 111.107 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -34.25 -56.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.099999999999994 110.882 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -65.91 -66.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 64.540000000000006 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.89 -70.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 55.32 111.143 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.22 -47.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 44.009999999999998 111.113 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.5 -62.93 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 65.109999999999999 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -19.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 41.130000000000003 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 60.100000000000001 110.866 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.767 0.318 . . . . 55.229999999999997 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -86.4 -21.59 27.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.510000000000005 110.928 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.22 -28.17 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 62.310000000000002 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -79.48 -72.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.908 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -42.7 -44.2 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 75.420000000000002 111.071 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 5.5 tttp -34.17 -56.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 72.120000000000005 110.894 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ILE . 18.7 mmt180 -66.19 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 70.530000000000001 110.87 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.9 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 53.119999999999997 111.158 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.0 -47.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 64.239999999999995 111.168 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.52 -63.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 54.119999999999997 110.905 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.29 -18.95 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 55.100000000000001 111.125 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 51.439999999999998 110.895 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.713 0.292 . . . . 40.200000000000003 111.079 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -78.57 -25.91 45.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 64.420000000000002 110.903 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 9' ' ' ARG . . . -96.95 -3.97 40.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 70.530000000000001 111.076 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 7' ' ' ALA . 8.6 t80 -117.7 -66.59 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 73.010000000000005 110.979 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.492 ' N ' ' CD1' ' A' ' 6' ' ' TYR . . . -46.51 -20.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 63.299999999999997 111.117 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -44.6 -70.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.299999999999997 110.909 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' H ' ' NE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.51 -61.46 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 110.912 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.18 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.113 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.19 -47.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 111.07 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.28 -63.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.530000000000001 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.02 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 64.120000000000005 111.075 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 72.019999999999996 110.902 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.714 0.292 . . . . 73.340000000000003 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -92.04 -21.25 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.230000000000004 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.64 -21.55 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 72.329999999999998 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -86.92 -70.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 73.349999999999994 110.928 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -44.02 -44.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.210000000000001 111.103 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -34.3 -56.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.510000000000005 110.874 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 34.5 mmt-85 -66.2 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 61.119999999999997 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.518 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.3 mm -34.23 -70.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 60.340000000000003 111.087 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.11 -47.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 62.450000000000003 111.088 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.34 -62.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 72.530000000000001 110.882 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.86 -33.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 60.219999999999999 111.132 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.5 mtm . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 61.409999999999997 110.871 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.738 0.304 . . . . 62.350000000000001 111.116 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.6 -20.59 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 64.049999999999997 110.863 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.36 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.420000000000002 111.084 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.6 t80 -79.54 -70.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 62.210000000000001 110.941 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.428 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.01 -43.11 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 74.510000000000005 111.095 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -40.15 -58.89 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.239999999999995 110.914 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.22 -61.71 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.864 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.645 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm -33.76 -70.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 65.329999999999998 111.119 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.19 -38.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 63.409999999999997 111.097 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mt-10 -75.39 -62.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.926 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -11.75 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 51.100000000000001 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ILE . 5.1 ptt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.109999999999999 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.54 ' O ' ' HB3' ' A' ' 7' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.781 0.324 . . . . 72.219999999999999 111.148 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.2 -22.77 22.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.18 -28.64 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 63.140000000000001 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 6.9 t80 -90.4 -69.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 73.540000000000006 110.937 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -39.97 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 71.239999999999995 111.096 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -38.39 -64.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.120000000000005 110.87 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.74 -65.23 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.239999999999995 110.879 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -34.55 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 111.141 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.93 -40.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 31.329999999999998 111.081 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mt-10 -75.23 -62.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.877 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.87 -9.88 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 54.399999999999999 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 ptt? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 70.209999999999994 110.848 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.89 0.376 . . . . 71.420000000000002 110.803 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.85 88.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 35.350000000000001 111.12 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.83 -17.09 63.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 43.43 111.039 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.74 -21.74 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 60.109999999999999 110.865 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.67 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.509999999999998 111.133 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 2.9 t80 -77.34 -71.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.510000000000005 110.909 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -42.15 -38.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 73.439999999999998 111.123 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -59.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 75.310000000000002 110.931 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.140000000000001 110.929 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.1 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.530000000000001 111.114 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.1 -46.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 111.115 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.67 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -23.89 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.219999999999999 111.128 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.71 20.61 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.349999999999994 110.867 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.25 -66.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 72.430000000000007 111.061 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttp 38.56 51.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 74.25 110.926 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 72.329999999999998 112.476 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 4' ' ' GLU . 7.7 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.923 0.392 . . . . 64.140000000000001 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.68 -21.22 59.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 60.140000000000001 111.083 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.58 -14.93 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 64.040000000000006 111.13 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 1' ' ' SER . 6.4 pt-20 -93.56 -22.43 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.88 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.72 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 41.140000000000001 111.103 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.514 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.0 t80 -80.89 -70.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 54.399999999999999 110.888 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.76 -31.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.116 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -52.47 -59.77 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.329999999999998 110.911 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -57.06 -58.04 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.210000000000001 110.874 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.12 -70.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 111.155 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.11 -46.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 62.340000000000003 111.106 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.45 -62.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.19 -16.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 72.409999999999997 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.2 mtm -91.55 22.39 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.06 27.06 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 72.310000000000002 111.079 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 174.75 6.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.140000000000001 110.879 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 51.140000000000001 112.515 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.888 0.375 . . . . 64.129999999999995 110.823 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.66 -21.98 59.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 61.32 111.125 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.37 -11.75 39.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.5 111.101 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.28 -22.41 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 73.5 110.894 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.42 -22.86 20.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 72.319999999999993 111.094 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 7' ' ' ALA . 3.8 t80 -86.08 -72.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.952 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -45.11 -35.44 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 63.329999999999998 111.118 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -44.95 -62.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 74.349999999999994 110.898 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.88 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 50.350000000000001 110.835 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.05 -70.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 72.019999999999996 111.112 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.92 -46.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 64.329999999999998 111.095 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.36 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -17.73 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.109999999999999 111.062 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mtp -98.7 26.82 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.846 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.23 -40.86 1.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.049999999999997 111.042 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -39.91 -33.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 75.219999999999999 110.959 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' N ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 63.020000000000003 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.875 0.369 . . . . 73.310000000000002 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.49 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 63.539999999999999 111.096 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.74 -17.33 60.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 73.409999999999997 111.12 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.69 -22.55 24.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.864 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.92 -30.02 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 61.549999999999997 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.5 t80 -76.69 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 71.329999999999998 110.908 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.505 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -40.89 -45.48 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 55.530000000000001 111.076 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -37.02 -62.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.874 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 2.6 mtt180 -55.75 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.450000000000003 110.91 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.53 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.04 -70.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 52.240000000000002 111.167 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.06 -46.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 111.081 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.42 -62.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.200000000000003 110.92 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.83 -29.59 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.200000000000003 111.07 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.44 15.87 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.882 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.69 27.25 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 111.138 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 115.01 19.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.420000000000002 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 64.519999999999996 112.478 179.904 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.371 . . . . 75.040000000000006 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.58 90.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 111.099 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.81 -15.72 43.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 54.439999999999998 111.046 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.65 -21.8 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.099999999999994 110.861 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.5 -27.46 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 52.450000000000003 111.079 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.594 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.7 t80 -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 64.030000000000001 110.896 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.43 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.56 -40.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 74.239999999999995 111.09 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -43.79 -58.65 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.914 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ILE . 1.9 mtt-85 -58.03 -61.92 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.85 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.4 mm -34.72 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.138 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.56 -46.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 65.120000000000005 111.065 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.41 -62.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.329999999999998 110.9 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.53 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 51.409999999999997 111.105 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mtp -93.65 19.75 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.916 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.45 -33.64 5.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 111.056 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -56.52 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 70.340000000000003 110.874 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 52.420000000000002 112.476 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 73.099999999999994 110.834 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.73 -48.15 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 74.040000000000006 111.074 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.57 -17.3 62.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 72.510000000000005 111.119 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.6 -22.46 28.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 60.5 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.12 -35.43 18.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 63.399999999999999 111.076 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.11 -70.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 73.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.200000000000003 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -72.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 71.239999999999995 110.909 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -55.06 -59.03 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 53.340000000000003 110.87 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.7 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.450000000000003 111.147 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.69 -46.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.310000000000002 111.093 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.55 -63.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.866 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.67 -14.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 43.229999999999997 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.08 25.62 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 110.877 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.62 -50.57 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 65.329999999999998 111.046 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -48.08 136.51 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.929 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 74.219999999999999 112.502 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.888 0.375 . . . . 62.5 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.67 -53.41 58.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 51.5 111.127 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -17.12 63.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 55.340000000000003 111.083 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.86 -22.51 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.109999999999999 110.861 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.34 -37.76 18.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 111.111 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.03 -70.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 54.240000000000002 110.915 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.09 -20.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 111.07 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.239999999999995 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.65 -60.95 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.329999999999998 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.4 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.340000000000003 111.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.05 -47.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.140000000000001 111.045 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.51 -63.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.44 -30.08 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 74.439999999999998 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 85.9 mtp -84.21 20.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 50.399999999999999 110.839 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.98 -33.36 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 71.349999999999994 111.12 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -46.03 -37.2 6.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.209999999999994 110.891 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 64.200000000000003 112.491 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.406 ' CB ' ' HG3' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.868 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.76 -55.5 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.140000000000001 111.061 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.72 -17.25 63.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 74.040000000000006 111.1 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' HG3' ' CB ' ' A' ' 1' ' ' SER . 29.7 mt-10 -83.72 -22.42 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 70.420000000000002 110.834 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.73 -33.05 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 64.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.425 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -81.69 -70.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.420000000000002 110.935 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.08 -20.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 70.019999999999996 111.142 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 70.400000000000006 110.918 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.299999999999997 110.83 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.48 -70.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.329999999999998 111.164 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.94 -47.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 111.073 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.39 -63.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 75.409999999999997 110.914 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -27.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.210000000000001 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mtp -95.17 30.56 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.140000000000001 110.847 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.77 -45.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 61.100000000000001 111.091 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -52.89 61.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.140000000000001 110.906 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 71.519999999999996 112.447 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.906 0.384 . . . . 41.109999999999999 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.67 84.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 45.409999999999997 111.129 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.02 -13.33 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 70.340000000000003 111.085 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.0 -22.32 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 64.140000000000001 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.9 -34.35 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.219999999999999 111.114 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.27 -70.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.5 110.917 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -45.97 -20.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 71.319999999999993 111.111 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 6' ' ' TYR . 15.2 tptt -45.17 -70.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.79 -60.88 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 65.040000000000006 110.865 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.47 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 61.130000000000003 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.02 -46.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.063 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -63.37 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 64.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.95 -20.76 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 74.150000000000006 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.419 ' HG3' HG22 ' A' ' 10' ' ' ILE . 2.2 mtt -94.06 18.58 10.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 62.420000000000002 110.843 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.55 -30.43 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 61.329999999999998 111.089 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -40.24 148.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.349999999999994 110.924 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 62.25 112.495 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.836 0.35 . . . . 62.130000000000003 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.52 -44.27 80.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.5 111.105 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.53 -16.76 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 111.131 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.13 -22.28 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 51.020000000000003 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.71 -32.09 19.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 111.075 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.5 t80 -80.98 -70.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.209999999999994 110.936 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.81 -23.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 55.030000000000001 111.053 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -41.03 -67.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 71.420000000000002 110.93 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.11 -62.11 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 110.839 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.71 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 63.229999999999997 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.67 -47.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 71.129999999999995 111.083 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.19 -63.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 60.299999999999997 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.34 -19.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.540000000000006 111.105 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 36.2 mtt -98.96 27.21 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.86 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.87 -35.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 34.229999999999997 111.089 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -79.0 -59.05 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 71.129999999999995 112.454 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 64.109999999999999 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.17 -48.99 70.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.25 111.144 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.35 -17.38 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 45.520000000000003 111.078 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -87.62 -22.51 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 70.019999999999996 110.886 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.84 -28.23 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 72.549999999999997 111.128 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 4.5 t80 -83.83 -69.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 63.229999999999997 110.908 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.405 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.19 -20.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 62.439999999999998 111.073 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -45.5 -70.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.919 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.58 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 60.119999999999997 110.856 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.59 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 64.120000000000005 111.15 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.85 -47.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.420000000000002 111.107 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 15' ' ' ALA . 2.4 mt-10 -62.36 -63.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 71.120000000000005 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.57 -31.35 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 43.119999999999997 111.118 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 mtt -89.22 25.48 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 61.530000000000001 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -127.78 -29.3 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 111.142 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -48.47 -32.04 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.92 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 73.200000000000003 112.482 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 74.319999999999993 110.874 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.97 -42.44 68.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 75.5 111.09 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.1 -14.53 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 72.319999999999993 111.111 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 1' ' ' SER . 3.6 mt-10 -81.2 -21.74 39.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.230000000000004 110.874 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.96 -29.67 15.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 111.124 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.712 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.2 t80 -76.09 -70.39 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 71.219999999999999 110.925 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.489 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.38 -43.77 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.200000000000003 111.1 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -56.15 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 60.420000000000002 110.899 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -58.69 -59.07 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.349999999999994 110.883 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.4 mm -34.73 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 65.400000000000006 111.127 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.4 -47.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.430000000000007 111.131 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.47 -63.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.04 -9.92 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 111.086 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -115.29 8.96 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.84 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -116.14 -39.42 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 73.219999999999999 111.085 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -77.84 -52.98 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.329999999999998 110.926 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 64.019999999999996 112.485 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 71.409999999999997 110.847 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.07 -20.74 13.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 52.310000000000002 111.094 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.13 -5.85 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 52.299999999999997 111.112 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.5 mt-10 -100.46 -22.51 15.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.929 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -33.23 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 54.340000000000003 111.126 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.65 -70.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 75.120000000000005 110.93 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 61.219999999999999 111.069 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -55.52 -70.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.099999999999994 110.92 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.49 -59.01 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 75.200000000000003 110.891 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.01 -70.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 62.109999999999999 111.164 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -35.98 -46.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 111.097 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.69 -62.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.319999999999993 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 -11.2 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 61.530000000000001 111.093 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 14' ' ' MET . 0.4 OUTLIER -113.13 9.02 18.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 62.25 110.845 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -117.63 -24.27 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 71.129999999999995 111.087 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -50.15 -36.95 32.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 50.109999999999999 112.522 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 4' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.853 0.358 . . . . 71.140000000000001 110.896 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.51 -19.04 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 65.340000000000003 111.144 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.18 -17.31 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 63.119999999999997 111.111 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 1' ' ' SER . 6.0 pt-20 -91.08 -22.33 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.889 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.1 -23.53 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 73.049999999999997 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.465 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 4.0 t80 -85.12 -71.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.905 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.36 -44.58 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 73.5 111.122 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' ALA . 1.2 mmtt -34.22 -56.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.898 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ILE . 11.3 mmm-85 -66.23 -66.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.450000000000003 110.885 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.3 mm -34.18 -70.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 55.149999999999999 111.117 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.07 -47.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 111.122 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.45 -62.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 53.329999999999998 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 62.049999999999997 111.118 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 mtp -87.88 17.7 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 63.109999999999999 110.885 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.28 -10.05 13.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 21.510000000000002 111.07 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -82.27 52.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.329999999999998 110.919 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.749 . . . . 73.25 112.486 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.895 0.378 . . . . 52.549999999999997 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.01 75.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 64.230000000000004 111.077 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.2 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.340000000000003 111.105 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.76 -22.19 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 110.892 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.74 -25.57 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 30.199999999999999 111.097 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.6 t80 -81.82 -70.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 75.099999999999994 110.961 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -43.74 -44.28 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 63.32 111.107 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -34.25 -56.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.099999999999994 110.882 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -65.91 -66.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 64.540000000000006 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.89 -70.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 55.32 111.143 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.22 -47.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 44.009999999999998 111.113 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.5 -62.93 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 65.109999999999999 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -19.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 41.130000000000003 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtt -95.44 23.14 6.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 60.100000000000001 110.866 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.09 -55.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.105 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -59.91 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.209999999999994 110.89 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 5.1200000000000001 112.5 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.882 0.372 . . . . 61.310000000000002 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.69 -48.06 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 75.230000000000004 111.121 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.5 -15.73 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 55.229999999999997 111.135 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -86.4 -21.59 27.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.510000000000005 110.928 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.22 -28.17 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 62.310000000000002 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -79.48 -72.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.908 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -42.7 -44.2 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 75.420000000000002 111.071 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 5.5 tttp -34.17 -56.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 72.120000000000005 110.894 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ILE . 18.7 mmt180 -66.19 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 70.530000000000001 110.87 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.9 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 53.119999999999997 111.158 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.0 -47.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 64.239999999999995 111.168 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.52 -63.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 54.119999999999997 110.905 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.29 -18.95 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 55.100000000000001 111.125 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.1 mtm -96.95 22.26 8.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 51.439999999999998 110.895 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.63 -24.98 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 62.32 111.131 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 142.35 56.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 70.120000000000005 110.923 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 65.209999999999994 112.484 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 4' ' ' GLU . 1.1 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.907 0.384 . . . . 74.310000000000002 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.11 -32.32 15.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 75.109999999999999 111.081 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' ALA . . . -122.31 -18.21 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 40.200000000000003 111.079 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.458 ' HB2' ' N ' ' A' ' 1' ' ' SER . 11.4 mt-10 -78.57 -25.91 45.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 64.420000000000002 110.903 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 9' ' ' ARG . . . -96.95 -3.97 40.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 70.530000000000001 111.076 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 7' ' ' ALA . 8.6 t80 -117.7 -66.59 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 73.010000000000005 110.979 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.492 ' N ' ' CD1' ' A' ' 6' ' ' TYR . . . -46.51 -20.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 63.299999999999997 111.117 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -44.6 -70.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.299999999999997 110.909 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' H ' ' NE ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.51 -61.46 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 110.912 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.18 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.113 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.19 -47.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 111.07 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.28 -63.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.530000000000001 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.02 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 64.120000000000005 111.075 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mtt -94.11 24.97 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 72.019999999999996 110.902 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.08 -31.77 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 54.020000000000003 111.111 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -45.71 166.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 53.32 110.948 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 70.150000000000006 112.482 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 4' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.928 0.394 . . . . 51.439999999999998 110.872 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.83 -20.88 13.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 64.400000000000006 111.123 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.69 -6.47 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.340000000000003 111.105 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HB2' ' N ' ' A' ' 1' ' ' SER . 1.2 mm-40 -92.04 -21.25 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.230000000000004 110.887 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.64 -21.55 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 72.329999999999998 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -86.92 -70.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 73.349999999999994 110.928 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -44.02 -44.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.210000000000001 111.103 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -34.3 -56.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.510000000000005 110.874 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 34.5 mmt-85 -66.2 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 61.119999999999997 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.518 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.3 mm -34.23 -70.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 60.340000000000003 111.087 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.11 -47.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 62.450000000000003 111.088 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' ALA . 2.1 mt-10 -62.34 -62.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 72.530000000000001 110.882 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.86 -33.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 60.219999999999999 111.132 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.5 mtm -89.19 33.44 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 61.409999999999997 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -133.44 -44.03 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 52.140000000000001 111.107 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.78 131.4 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 62.539999999999999 110.873 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 74.019999999999996 112.484 179.902 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 4' ' ' GLU . 1.3 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.837 0.351 . . . . 71.329999999999998 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.61 -17.86 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 55.130000000000003 111.081 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.17 -14.56 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 62.350000000000001 111.116 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 1' ' ' SER . 5.4 pt-20 -95.6 -20.59 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 64.049999999999997 110.863 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.36 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.420000000000002 111.084 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.6 t80 -79.54 -70.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 62.210000000000001 110.941 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.428 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.01 -43.11 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 74.510000000000005 111.095 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -40.15 -58.89 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.239999999999995 110.914 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.22 -61.71 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.864 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.645 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm -33.76 -70.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 65.329999999999998 111.119 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.19 -38.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 63.409999999999997 111.097 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mt-10 -75.39 -62.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 110.926 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -11.75 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 51.100000000000001 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ILE . 5.1 ptt? -104.43 8.52 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.109999999999999 110.886 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -114.6 -48.54 2.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 61.240000000000002 111.12 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -35.45 -56.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.904 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 72.25 112.479 179.929 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.902 0.382 . . . . 75.200000000000003 110.874 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.48 92.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 53.399999999999999 111.086 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' O ' ' HB3' ' A' ' 7' ' ' ALA . . . -67.95 -17.25 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 72.219999999999999 111.148 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.2 -22.77 22.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.18 -28.64 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 63.140000000000001 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 6.9 t80 -90.4 -69.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 73.540000000000006 110.937 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -39.97 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 71.239999999999995 111.096 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -38.39 -64.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.120000000000005 110.87 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.74 -65.23 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.239999999999995 110.879 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -34.55 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 111.141 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.93 -40.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 31.329999999999998 111.081 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mt-10 -75.23 -62.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.877 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.87 -9.88 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 54.399999999999999 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 ptt? -106.72 8.67 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 70.209999999999994 110.848 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.12 -39.59 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 50.210000000000001 111.089 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -60.36 -48.56 81.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 110.879 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 55.340000000000003 112.495 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.708 0.289 . . . . 43.43 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.74 -21.74 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 60.11 110.865 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.67 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.51 111.133 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 2.9 t80 -77.34 -71.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.909 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.55 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -42.15 -38.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 73.44 111.123 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -59.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.931 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.929 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.1 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.53 111.114 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.1 -46.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.43 111.115 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.67 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -23.89 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.22 111.128 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.35 110.867 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.773 0.32 . . . . 64.04 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -93.56 -22.43 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.88 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.72 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 41.14 111.103 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.514 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.0 t80 -80.89 -70.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 54.4 110.888 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.76 -31.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.116 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -52.47 -59.77 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.911 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -57.06 -58.04 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.21 110.874 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.12 -70.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.155 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.11 -46.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 62.34 111.106 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.45 -62.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.19 -16.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 72.41 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.2 mtm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.874 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.738 0.304 . . . . 74.5 111.101 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.28 -22.41 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 73.5 110.894 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.42 -22.86 20.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 72.32 111.094 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 7' ' ' ALA . 3.8 t80 -86.08 -72.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.952 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -45.11 -35.44 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 63.33 111.118 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -44.95 -62.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 74.35 110.898 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.88 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 50.35 110.835 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.05 -70.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 72.02 111.112 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.92 -46.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 64.33 111.095 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.36 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -17.73 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.11 111.062 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.45 110.846 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.784 0.326 . . . . 73.41 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.69 -22.55 24.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.864 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.92 -30.02 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 61.55 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.5 t80 -76.69 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.908 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.505 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -40.89 -45.48 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 55.53 111.076 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -37.02 -62.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.874 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 2.6 mtt180 -55.75 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.91 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.53 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.04 -70.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 52.24 111.167 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.06 -46.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 73.33 111.081 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.42 -62.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.92 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.83 -29.59 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.2 111.07 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.882 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.72 0.295 . . . . 54.44 111.046 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.65 -21.8 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.1 110.861 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.5 -27.46 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 52.45 111.079 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.594 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.7 t80 -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 64.03 110.896 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.43 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.56 -40.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 74.24 111.09 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -43.79 -58.65 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.914 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ILE . 1.9 mtt-85 -58.03 -61.92 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.85 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.4 mm -34.72 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.138 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.56 -46.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 65.12 111.065 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.41 -62.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.9 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.53 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 51.41 111.105 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.916 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.761 0.315 . . . . 72.51 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.6 -22.46 28.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 60.5 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.12 -35.43 18.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 63.4 111.076 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.11 -70.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 73.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.2 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -72.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 71.24 110.909 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -55.06 -59.03 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 53.34 110.87 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.7 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.45 111.147 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.69 -46.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.31 111.093 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.55 -63.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.866 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.67 -14.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 43.23 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.712 0.291 . . . . 55.34 111.083 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.86 -22.51 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.861 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.34 -37.76 18.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.2 111.111 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.03 -70.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 54.24 110.915 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.09 -20.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.24 111.07 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.65 -60.95 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.4 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.34 111.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.05 -47.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.14 111.045 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.51 -63.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.44 -30.08 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 74.44 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 50.4 110.839 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.737 0.303 . . . . 74.04 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -83.72 -22.42 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 70.42 110.834 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.73 -33.05 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 64.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.425 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -81.69 -70.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.935 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.08 -20.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 70.02 111.142 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 70.4 110.918 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.83 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.498 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.48 -70.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.33 111.164 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.94 -47.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.02 111.073 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.39 -63.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -27.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.21 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.14 110.847 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.757 0.313 . . . . 70.34 111.085 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.0 -22.32 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 64.14 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.9 -34.35 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.22 111.114 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.27 -70.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.5 110.917 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -45.97 -20.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 71.32 111.111 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 6' ' ' TYR . 15.2 tptt -45.17 -70.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.79 -60.88 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 65.04 110.865 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.47 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 61.13 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.02 -46.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.063 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -63.37 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 64.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.95 -20.76 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 74.15 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.419 ' HG3' HG22 ' A' ' 10' ' ' ILE . 2.2 mtt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 62.42 110.843 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.765 0.317 . . . . 74.22 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.13 -22.28 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 51.02 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.71 -32.09 19.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.15 111.075 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.5 t80 -80.98 -70.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.21 110.936 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.81 -23.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 55.03 111.053 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -41.03 -67.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 71.42 110.93 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.11 -62.11 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.839 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.71 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 63.23 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.67 -47.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 71.13 111.083 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.19 -63.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 60.3 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.34 -19.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.105 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.86 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.733 0.301 . . . . 45.52 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -87.62 -22.51 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 70.02 110.886 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.84 -28.23 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 72.55 111.128 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 4.5 t80 -83.83 -69.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 63.23 110.908 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.405 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.19 -20.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 62.44 111.073 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -45.5 -70.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.919 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.58 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 60.12 110.856 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.59 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 64.12 111.15 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.85 -47.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.42 111.107 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -63.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.888 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.57 -31.35 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 43.12 111.118 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 61.53 110.893 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.814 0.34 . . . . 72.32 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -81.2 -21.74 39.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.23 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.96 -29.67 15.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.124 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.712 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.2 t80 -76.09 -70.39 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 71.22 110.925 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.489 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.38 -43.77 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.2 111.1 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -56.15 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 60.42 110.899 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -58.69 -59.07 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.35 110.883 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.4 mm -34.73 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 65.4 111.127 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.4 -47.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.43 111.131 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.47 -63.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.04 -9.92 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 74.2 111.086 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.84 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.748 0.309 . . . . 52.3 111.112 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.5 mt-10 -100.46 -22.51 15.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.929 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -33.23 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 54.34 111.126 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.65 -70.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.93 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 61.22 111.069 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -55.52 -70.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.92 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.49 -59.01 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 75.2 110.891 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.532 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.01 -70.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 62.11 111.164 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.98 -46.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.12 111.097 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.69 -62.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 -11.2 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 61.53 111.093 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 14' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 62.25 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.748 0.308 . . . . 63.12 111.111 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -91.08 -22.33 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.889 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.1 -23.53 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 73.05 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.465 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 4.0 t80 -85.12 -71.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.905 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.36 -44.58 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 73.5 111.122 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' ALA . 1.2 mmtt -34.22 -56.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.898 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ILE . 11.3 mmm-85 -66.23 -66.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.885 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.3 mm -34.18 -70.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 55.15 111.117 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.07 -47.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.122 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.45 -62.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 53.33 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 62.05 111.118 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 63.11 110.885 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.796 0.331 . . . . 63.34 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.76 -22.19 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 70.51 110.892 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.74 -25.57 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 30.2 111.097 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.6 t80 -81.82 -70.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.961 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.46 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -43.74 -44.28 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 63.32 111.107 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -34.25 -56.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.1 110.882 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -65.91 -66.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 64.54 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.89 -70.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 55.32 111.143 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.22 -47.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 44.01 111.113 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.5 -62.93 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 65.11 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -19.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 41.13 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 60.1 110.866 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.767 0.318 . . . . 55.23 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -86.4 -21.59 27.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.928 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.22 -28.17 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 62.31 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -79.48 -72.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 62.24 110.908 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -42.7 -44.2 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 75.42 111.071 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 5.5 tttp -34.17 -56.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 72.12 110.894 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ILE . 18.7 mmt180 -66.19 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 70.53 110.87 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.9 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 53.12 111.158 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.0 -47.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 64.24 111.168 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.52 -63.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 54.12 110.905 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.29 -18.95 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 55.1 111.125 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 51.44 110.895 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' ALA . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.713 0.292 . . . . 40.2 111.079 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -78.57 -25.91 45.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.903 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 9' ' ' ARG . . . -96.95 -3.97 40.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 70.53 111.076 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 7' ' ' ALA . 8.6 t80 -117.7 -66.59 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.979 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.492 ' N ' ' CD1' ' A' ' 6' ' ' TYR . . . -46.51 -20.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 63.3 111.117 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -44.6 -70.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.909 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' NE ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.51 -61.46 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.912 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.18 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.113 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.19 -47.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.01 111.07 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.28 -63.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.53 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.02 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 64.12 111.075 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 72.02 110.902 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.714 0.292 . . . . 73.34 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -92.04 -21.25 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.64 -21.55 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 72.33 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -86.92 -70.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.928 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -44.02 -44.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.21 111.103 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -34.3 -56.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.874 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 34.5 mmt-85 -66.2 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 61.12 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.518 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.3 mm -34.23 -70.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 60.34 111.087 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.11 -47.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 62.45 111.088 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.34 -62.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.882 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.86 -33.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 60.22 111.132 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.5 mtm . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 61.41 110.871 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.738 0.304 . . . . 62.35 111.116 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.6 -20.59 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 64.05 110.863 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.36 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.084 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.6 t80 -79.54 -70.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 62.21 110.941 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.428 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.01 -43.11 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 74.51 111.095 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -40.15 -58.89 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.24 110.914 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.22 -61.71 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.864 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.645 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm -33.76 -70.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 65.33 111.119 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.19 -38.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 63.41 111.097 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mt-10 -75.39 -62.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.926 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -11.75 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 51.1 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ILE . 5.1 ptt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.11 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.54 ' O ' ' HB3' ' A' ' 7' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.781 0.324 . . . . 72.22 111.148 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.2 -22.77 22.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.18 -28.64 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 63.14 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 6.9 t80 -90.4 -69.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.937 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -39.97 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 71.24 111.096 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -38.39 -64.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.87 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.74 -65.23 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.24 110.879 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -34.55 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.4 111.141 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.93 -40.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 31.33 111.081 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mt-10 -75.23 -62.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.877 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.87 -9.88 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 54.4 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 ptt? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 70.21 110.848 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.89 0.376 . . . . 71.42 110.803 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.85 88.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 35.35 111.12 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.83 -17.09 63.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 43.43 111.039 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.74 -21.74 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 60.11 110.865 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.46 -31.67 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.51 111.133 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 2.9 t80 -77.34 -71.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.909 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.55 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -42.15 -38.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 73.44 111.123 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -59.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.931 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 64.14 110.929 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.1 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.53 111.114 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.1 -46.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 74.43 111.115 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.67 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.15 -23.89 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.22 111.128 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.71 20.61 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.35 110.867 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.25 -66.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 72.43 111.061 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttp 38.56 51.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 74.25 110.926 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 72.33 112.476 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 4' ' ' GLU . 7.7 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.923 0.392 . . . . 64.14 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.68 -21.22 59.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 60.14 111.083 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.58 -14.93 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 64.04 111.13 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 1' ' ' SER . 6.4 pt-20 -93.56 -22.43 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.88 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.04 -25.72 17.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 41.14 111.103 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.514 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.0 t80 -80.89 -70.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 54.4 110.888 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.76 -31.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.116 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -52.47 -59.77 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.911 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -57.06 -58.04 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.21 110.874 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.12 -70.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.155 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.11 -46.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 62.34 111.106 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.45 -62.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.19 -16.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 72.41 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.2 mtm -91.55 22.39 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.06 27.06 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 72.31 111.079 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.36 174.75 6.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 75.14 110.879 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 51.14 112.515 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.888 0.375 . . . . 64.13 110.823 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.66 -21.98 59.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 61.32 111.125 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.37 -11.75 39.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.5 111.101 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.28 -22.41 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 73.5 110.894 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.42 -22.86 20.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 72.32 111.094 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 7' ' ' ALA . 3.8 t80 -86.08 -72.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.952 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -45.11 -35.44 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 63.33 111.118 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -44.95 -62.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 74.35 110.898 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.88 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 50.35 110.835 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.05 -70.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 72.02 111.112 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.92 -46.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 64.33 111.095 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.36 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.72 -17.73 3.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.11 111.062 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mtp -98.7 26.82 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.45 110.846 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.23 -40.86 1.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.05 111.042 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -39.91 -33.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 75.22 110.959 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' N ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 63.02 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.875 0.369 . . . . 73.31 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.49 97.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 63.54 111.096 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.74 -17.33 60.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 73.41 111.12 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -87.69 -22.55 24.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.864 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.92 -30.02 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 61.55 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.5 t80 -76.69 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.908 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.505 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -40.89 -45.48 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 55.53 111.076 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -37.02 -62.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.874 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 2.6 mtt180 -55.75 -62.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.91 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.53 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.04 -70.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 52.24 111.167 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -36.06 -46.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 73.33 111.081 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.42 -62.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.92 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.83 -29.59 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.2 111.07 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.44 15.87 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.882 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.69 27.25 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 74.14 111.138 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 115.01 19.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 64.52 112.478 179.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.371 . . . . 75.04 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.58 90.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 65.3 111.099 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.81 -15.72 43.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 54.44 111.046 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.65 -21.8 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.1 110.861 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.5 -27.46 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 52.45 111.079 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.594 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.7 t80 -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 64.03 110.896 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.43 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.56 -40.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 74.24 111.09 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -43.79 -58.65 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.914 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ILE . 1.9 mtt-85 -58.03 -61.92 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.85 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.4 mm -34.72 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.138 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.56 -46.93 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 65.12 111.065 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.41 -62.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.9 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.53 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 51.41 111.105 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mtp -93.65 19.75 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.916 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.45 -33.64 5.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.11 111.056 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -56.52 4.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 70.34 110.874 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 52.42 112.476 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 73.1 110.834 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.73 -48.15 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 74.04 111.074 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.57 -17.3 62.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 72.51 111.119 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.6 -22.46 28.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 60.5 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.12 -35.43 18.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 63.4 111.076 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.11 -70.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 73.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 74.2 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -72.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 71.24 110.909 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -55.06 -59.03 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 53.34 110.87 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.7 -70.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.45 111.147 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.69 -46.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.31 111.093 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.55 -63.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.866 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.67 -14.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 43.23 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.08 25.62 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.877 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.62 -50.57 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 65.33 111.046 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -48.08 136.51 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.929 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 74.22 112.502 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.888 0.375 . . . . 62.5 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.67 -53.41 58.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 51.5 111.127 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -17.12 63.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 55.34 111.083 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.86 -22.51 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.861 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.34 -37.76 18.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.2 111.111 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.03 -70.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 54.24 110.915 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.09 -20.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 72.24 111.07 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.65 -60.95 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.4 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.34 111.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.05 -47.0 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.14 111.045 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.51 -63.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.44 -30.08 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 74.44 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 85.9 mtp -84.21 20.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 50.4 110.839 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.98 -33.36 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 71.35 111.12 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -46.03 -37.2 6.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.21 110.891 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 64.2 112.491 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.406 ' CB ' ' HG3' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.852 0.358 . . . . 72.22 110.868 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.76 -55.5 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.14 111.061 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.72 -17.25 63.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 74.04 111.1 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' HG3' ' CB ' ' A' ' 1' ' ' SER . 29.7 mt-10 -83.72 -22.42 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 70.42 110.834 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.73 -33.05 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 64.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.425 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -81.69 -70.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.935 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.08 -20.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 70.02 111.142 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 70.4 110.918 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.83 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.48 -70.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.33 111.164 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.94 -47.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.02 111.073 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.39 -63.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 75.41 110.914 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -27.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.21 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mtp -95.17 30.56 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.14 110.847 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.77 -45.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 61.1 111.091 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -52.89 61.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.14 110.906 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 71.52 112.447 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.906 0.384 . . . . 41.11 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.67 84.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 45.41 111.129 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.02 -13.33 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 70.34 111.085 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.0 -22.32 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 64.14 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.9 -34.35 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.22 111.114 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 3.6 t80 -79.27 -70.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.5 110.917 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -45.97 -20.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 71.32 111.111 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 6' ' ' TYR . 15.2 tptt -45.17 -70.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.79 -60.88 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 65.04 110.865 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.47 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 61.13 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.02 -46.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.063 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -63.37 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 64.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.95 -20.76 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 74.15 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.419 ' HG3' HG22 ' A' ' 10' ' ' ILE . 2.2 mtt -94.06 18.58 10.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 62.42 110.843 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.55 -30.43 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 61.33 111.089 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -40.24 148.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.924 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 62.25 112.495 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.836 0.35 . . . . 62.13 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.52 -44.27 80.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.5 111.105 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.53 -16.76 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.131 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.13 -22.28 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 51.02 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.71 -32.09 19.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.15 111.075 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.5 t80 -80.98 -70.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.21 110.936 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -41.81 -23.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 55.03 111.053 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -41.03 -67.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 71.42 110.93 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.11 -62.11 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.839 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.71 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 63.23 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.67 -47.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 71.13 111.083 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.19 -63.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 60.3 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.34 -19.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.105 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 36.2 mtt -98.96 27.21 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.86 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.87 -35.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 34.23 111.089 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -79.0 -59.05 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 71.13 112.454 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 64.11 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.17 -48.99 70.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.25 111.144 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.35 -17.38 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 45.52 111.078 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -87.62 -22.51 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 70.02 110.886 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.84 -28.23 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 72.55 111.128 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 4.5 t80 -83.83 -69.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 63.23 110.908 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.405 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -46.19 -20.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 62.44 111.073 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -45.5 -70.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.919 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -56.69 -60.58 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 60.12 110.856 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.59 -70.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 64.12 111.15 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -34.85 -47.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.42 111.107 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 15' ' ' ALA . 2.4 mt-10 -62.36 -63.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.57 -31.35 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 43.12 111.118 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 mtt -89.22 25.48 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 61.53 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -127.78 -29.3 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.03 111.142 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -48.47 -32.04 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.21 110.92 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 73.2 112.482 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 74.32 110.874 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.97 -42.44 68.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 75.5 111.09 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.1 -14.53 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 72.32 111.111 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 1' ' ' SER . 3.6 mt-10 -81.2 -21.74 39.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.23 110.874 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.96 -29.67 15.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.124 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.712 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.2 t80 -76.09 -70.39 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 71.22 110.925 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.489 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.38 -43.77 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.2 111.1 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -56.15 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 60.42 110.899 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -58.69 -59.07 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 73.35 110.883 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.4 mm -34.73 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 65.4 111.127 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.4 -47.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.43 111.131 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.47 -63.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.04 -9.92 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 74.2 111.086 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -115.29 8.96 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.84 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -116.14 -39.42 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.085 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -77.84 -52.98 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.33 110.926 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 64.02 112.485 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 71.41 110.847 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.07 -20.74 13.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 52.31 111.094 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.13 -5.85 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 52.3 111.112 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.5 mt-10 -100.46 -22.51 15.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.929 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -33.23 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 54.34 111.126 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -83.65 -70.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.93 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.79 -20.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 61.22 111.069 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -55.52 -70.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.92 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -51.49 -59.01 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 75.2 110.891 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -36.01 -70.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 62.11 111.164 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -35.98 -46.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.12 111.097 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.69 -62.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 -11.2 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 61.53 111.093 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 14' ' ' MET . 0.4 OUTLIER -113.13 9.02 18.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 62.25 110.845 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -117.63 -24.27 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 71.13 111.087 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -50.15 -36.95 32.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 50.11 112.522 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 4' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.853 0.358 . . . . 71.14 110.896 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.51 -19.04 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 65.34 111.144 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.18 -17.31 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 63.12 111.111 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 1' ' ' SER . 6.0 pt-20 -91.08 -22.33 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.889 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.1 -23.53 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 73.05 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.465 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 4.0 t80 -85.12 -71.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.905 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -44.36 -44.58 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 73.5 111.122 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' ALA . 1.2 mmtt -34.22 -56.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.898 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ILE . 11.3 mmm-85 -66.23 -66.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.885 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.3 mm -34.18 -70.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 55.15 111.117 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.07 -47.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.122 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.45 -62.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 53.33 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 62.05 111.118 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 mtp -87.88 17.7 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 63.11 110.885 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.28 -10.05 13.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 21.51 111.07 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -82.27 52.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.919 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.749 . . . . 73.25 112.486 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.895 0.378 . . . . 52.55 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.01 75.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 64.23 111.077 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.78 -17.2 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.34 111.105 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.76 -22.19 22.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 70.51 110.892 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.74 -25.57 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 30.2 111.097 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.6 t80 -81.82 -70.35 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.961 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -43.74 -44.28 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 63.32 111.107 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -34.25 -56.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.1 110.882 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -65.91 -66.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 64.54 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.89 -70.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 55.32 111.143 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.22 -47.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 44.01 111.113 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.5 -62.93 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 65.11 110.873 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.99 -19.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 41.13 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.4 mtt -95.44 23.14 6.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 60.1 110.866 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.09 -55.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.105 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -59.91 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.89 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 5.12 112.5 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.882 0.372 . . . . 61.31 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.69 -48.06 70.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 75.23 111.121 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.5 -15.73 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 55.23 111.135 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -86.4 -21.59 27.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.928 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.22 -28.17 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 62.31 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -79.48 -72.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 62.24 110.908 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -42.7 -44.2 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 75.42 111.071 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 5.5 tttp -34.17 -56.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 72.12 110.894 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ILE . 18.7 mmt180 -66.19 -66.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 70.53 110.87 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.4 mm -33.9 -70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 53.12 111.158 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.0 -47.36 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 64.24 111.168 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.52 -63.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 54.12 110.905 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.29 -18.95 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 55.1 111.125 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.1 mtm -96.95 22.26 8.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 51.44 110.895 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.63 -24.98 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 62.32 111.131 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 142.35 56.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 70.12 110.923 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 65.21 112.484 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 4' ' ' GLU . 1.1 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.907 0.384 . . . . 74.31 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.11 -32.32 15.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 75.11 111.081 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' ALA . . . -122.31 -18.21 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 40.2 111.079 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.458 ' HB2' ' N ' ' A' ' 1' ' ' SER . 11.4 mt-10 -78.57 -25.91 45.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.903 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 9' ' ' ARG . . . -96.95 -3.97 40.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 70.53 111.076 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 7' ' ' ALA . 8.6 t80 -117.7 -66.59 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.979 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.492 ' N ' ' CD1' ' A' ' 6' ' ' TYR . . . -46.51 -20.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 63.3 111.117 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -44.6 -70.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.909 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' NE ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.51 -61.46 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.912 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.4 mm -35.18 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.113 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.19 -47.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.01 111.07 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.28 -63.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.53 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.98 -29.02 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 64.12 111.075 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mtt -94.11 24.97 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 72.02 110.902 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.08 -31.77 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 54.02 111.111 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -45.71 166.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 53.32 110.948 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 70.15 112.482 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 4' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.928 0.394 . . . . 51.44 110.872 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.83 -20.88 13.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 64.4 111.123 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.69 -6.47 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.105 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HB2' ' N ' ' A' ' 1' ' ' SER . 1.2 mm-40 -92.04 -21.25 20.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.887 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.64 -21.55 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 72.33 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 3.7 t80 -86.92 -70.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.928 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -44.02 -44.18 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.21 111.103 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -34.3 -56.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.874 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 34.5 mmt-85 -66.2 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 61.12 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.518 HG13 ' CZ ' ' A' ' 6' ' ' TYR . 2.3 mm -34.23 -70.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 60.34 111.087 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -35.11 -47.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 62.45 111.088 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' ALA . 2.1 mt-10 -62.34 -62.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.882 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.86 -33.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 60.22 111.132 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.5 mtm -89.19 33.44 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 61.41 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -133.44 -44.03 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 52.14 111.107 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.78 131.4 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 62.54 110.873 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 74.02 112.484 179.902 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 4' ' ' GLU . 1.3 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.837 0.351 . . . . 71.33 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.61 -17.86 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 55.13 111.081 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.17 -14.56 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 62.35 111.116 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 1' ' ' SER . 5.4 pt-20 -95.6 -20.59 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 64.05 110.863 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.36 15.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.084 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CE1' HD11 ' A' ' 10' ' ' ILE . 3.6 t80 -79.54 -70.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 62.21 110.941 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.428 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -41.01 -43.11 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 74.51 111.095 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -40.15 -58.89 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.24 110.914 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.22 -61.71 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.864 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.645 HD11 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm -33.76 -70.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 65.33 111.119 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.19 -38.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 63.41 111.097 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mt-10 -75.39 -62.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.926 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.67 -11.75 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 51.1 111.108 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ILE . 5.1 ptt? -104.43 8.52 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.11 110.886 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -114.6 -48.54 2.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 61.24 111.12 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -35.45 -56.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 71.14 110.904 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 72.25 112.479 179.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.902 0.382 . . . . 75.2 110.874 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.48 92.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 53.4 111.086 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' O ' ' HB3' ' A' ' 7' ' ' ALA . . . -67.95 -17.25 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 72.22 111.148 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.2 -22.77 22.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.18 -28.64 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 63.14 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CD2' ' N ' ' A' ' 7' ' ' ALA . 6.9 t80 -90.4 -69.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.937 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' ' CD2' ' A' ' 6' ' ' TYR . . . -39.97 -25.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 71.24 111.096 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -38.39 -64.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.87 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.74 -65.23 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.24 110.879 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' ILE . 2.2 mm -34.55 -70.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.4 111.141 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.93 -40.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 31.33 111.081 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mt-10 -75.23 -62.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.877 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.87 -9.88 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 54.4 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' ILE . 2.9 ptt? -106.72 8.67 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 70.21 110.848 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.12 -39.59 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 50.21 111.089 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -60.36 -48.56 81.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.879 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 55.34 112.495 179.948 . . . . . . . . 0 0 . 1 stop_ save_