data_2ljq_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 2ljq _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 ' 2' ' ' TYR . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.926 0.393 . . . . 71.54 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.16 54.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 74.32 110.901 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 -45.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 73.42 112.455 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.41 98.66 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 73.53 110.935 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.29 127.68 8.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 54.25 112.502 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.33 -42.87 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 74.33 111.077 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -77.63 166.72 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.24 110.814 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -71.26 118.01 13.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.894 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -60.39 -25.16 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.155 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -48.93 73.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -67.73 -57.35 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.838 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.87 83.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 64.14 112.524 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -67.67 -56.11 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 62.22 110.86 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -71.48 -33.33 69.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 72.04 110.841 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -71.04 -25.45 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -70.31 -51.89 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 61.44 110.881 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.78 -53.79 35.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.988 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.26 -43.04 99.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 74.3 112.487 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.47 -40.18 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 74.24 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.73 -58.3 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 64.34 111.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.22 -45.91 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 t -54.43 -36.87 64.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.39 93.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 53.42 111.132 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.15 -29.41 74.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 75.21 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.11 -30.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 75.12 111.136 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -62.36 -35.24 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.817 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -67.46 -51.17 54.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mp -68.75 -25.75 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.933 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.58 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 64.52 111.099 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -83.82 -25.95 29.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.89 76.41 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 64.3 112.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.38 -130.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 71.4 112.485 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -95.2 -49.89 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 75.32 110.843 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 50.51 112.487 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.8 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.916 0.389 . . . . 72.34 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 62.44 48.8 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 75.21 110.893 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.24 -65.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 71.22 112.465 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -87.06 103.26 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 75.41 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.43 116.47 5.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 71.23 112.465 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.49 -51.52 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 74.22 111.105 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -82.29 -75.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.856 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t -168.66 121.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.871 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 t -67.43 -24.84 65.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 71.4 111.154 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -55.33 -44.11 75.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 75.45 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -67.45 -33.83 75.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.83 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.6 103.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 65.24 112.491 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.92 97.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.14 110.832 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -68.51 -39.48 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.855 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.9 -24.25 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 73.23 111.11 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -69.17 -43.32 74.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.897 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -62.54 -59.9 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.962 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.41 -24.21 37.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 74.45 112.547 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -43.31 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 71.15 110.924 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -59.5 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 63.12 111.139 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -53.88 -32.37 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.893 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.49 -32.58 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.845 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.23 39.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 71.04 111.148 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.47 -34.52 42.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.483 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.41 -43.78 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 72.22 111.159 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -61.84 -44.42 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.5 110.851 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -63.98 -32.7 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.61 -30.83 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 74.55 110.938 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.5 68.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.08 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.67 -26.67 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.3 110.929 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.38 78.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 73.53 112.477 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.14 -108.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 55.54 112.487 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -151.71 107.53 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 75.21 110.859 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 75.32 112.495 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.3 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.963 0.411 . . . . 74.45 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 t80 62.04 52.17 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 70.52 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.0 -38.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 71.13 112.499 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -85.0 101.4 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 74.35 110.894 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.45 115.51 1.46 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 73.01 112.485 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.66 -30.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 75.42 111.145 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -76.97 163.72 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.839 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.44 122.12 22.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.843 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -66.27 -30.25 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 75.34 111.163 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -57.11 -40.16 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 75.35 110.881 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m -64.68 -28.31 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.902 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.63 102.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 74.15 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -62.94 -43.2 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 75.22 110.833 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -68.72 -38.74 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 74.33 110.872 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.57 -27.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 75.5 111.13 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.17 -70.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.85 -38.16 54.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.97 -45.95 84.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 75.3 112.471 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.56 -31.67 62.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 75.21 110.865 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -57.56 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.12 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -64.97 -43.08 93.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 72.35 110.905 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -54.51 -29.98 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.32 82.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.41 111.105 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.49 -33.88 55.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 73.2 112.503 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.6 t -57.54 -43.47 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 74.4 111.111 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.32 -45.29 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -65.1 -35.93 82.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.912 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.76 -26.65 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.95 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 -34.48 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.05 111.112 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -90.24 -27.89 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.22 88.57 0.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 54.23 112.464 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.23 -19.8 0.73 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 64.32 112.494 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.94 46.05 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 62.43 110.837 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 41.42 112.484 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.892 0.377 . . . . 72.05 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.5 t80 57.0 30.39 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.904 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 41.62 99.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 65.34 112.461 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 53.82 71.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 71.01 110.918 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.81 158.18 20.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 65.12 112.443 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.2 m -76.72 -20.88 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 73.41 111.161 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -74.6 123.69 25.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -77.26 173.1 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.88 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -67.5 -17.99 64.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 72.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -55.06 -57.04 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.911 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -61.87 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 72.22 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.92 103.49 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 70.13 112.46 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -65.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 74.53 110.874 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -32.48 72.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.873 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.7 t -65.37 -35.23 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 71.4 111.113 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -76.61 -70.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.926 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -51.88 -44.72 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.973 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -59.74 8.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.543 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.41 73.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 74.51 110.873 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.82 -55.96 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 73.54 111.085 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -67.47 -26.22 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.827 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -61.8 -29.82 70.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.852 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.73 72.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -39.1 13.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 72.31 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -54.82 -43.12 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 75.44 111.125 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.67 -46.22 87.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.916 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -61.32 -49.0 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.887 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.67 -26.25 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.93 -25.59 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.12 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -84.31 -26.14 28.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 70.34 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.66 78.74 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.723 -0.751 . . . . 54.14 112.457 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.79 30.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 70.45 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 33.34 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 73.05 110.897 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 70.03 112.484 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.911 0.386 . . . . 73.32 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 50.88 30.54 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.12 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.67 105.02 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 72.04 112.462 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -78.68 101.5 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 73.1 110.897 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.35 152.08 17.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 75.53 112.526 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.71 -22.87 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 75.24 111.126 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -76.64 -30.25 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.888 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -33.23 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.843 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.5 p -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 73.52 111.126 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -55.1 -71.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -69.41 -57.62 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.84 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.58 113.74 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 62.54 112.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.1 t -69.38 -68.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 73.43 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -72.28 -25.75 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 70.11 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.59 -26.78 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 64.31 111.121 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -76.67 -43.88 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.843 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -63.36 -60.89 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.94 -37.33 44.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 75.53 112.466 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -70.27 -33.03 71.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 74.54 110.87 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -59.62 3.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.13 111.09 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -59.0 -26.19 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.865 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -59.02 -37.55 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.887 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.44 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.14 111.109 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.69 -44.12 7.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 61.35 112.483 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.77 -42.7 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 75.25 111.154 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -64.65 -39.06 93.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.854 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -67.9 -37.37 81.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.11 -26.07 64.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.43 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.24 111.113 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.91 -28.56 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 71.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.74 81.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 72.31 112.469 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.0 141.49 3.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 73.34 112.474 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.71 73.68 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 64.01 110.89 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 75.2 112.478 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.92 0.39 . . . . 75.21 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -92.29 37.98 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 74.53 110.96 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.84 -36.56 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 65.24 112.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -79.48 100.84 7.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 65.23 110.847 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.38 55.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 75.3 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.6 m -72.3 -34.89 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 72.21 111.161 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -82.39 -20.12 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 m -69.83 -18.13 63.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.847 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.0 t -59.6 -24.0 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.4 111.144 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -55.22 -61.72 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 73.54 110.913 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 t -69.34 -41.39 76.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.825 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.58 106.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 74.03 112.52 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -62.35 -51.22 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 71.35 110.896 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -68.5 -36.63 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 72.31 110.855 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.5 t -71.55 -24.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.107 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -70.12 -57.29 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.79 -57.99 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.929 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.14 -42.57 55.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 73.24 112.492 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -60.52 -29.72 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 64.4 110.879 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -59.44 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.134 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -61.76 -33.89 74.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.875 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -54.92 -29.94 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 70.13 110.887 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.67 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.22 -34.1 21.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 52.13 112.472 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.1 t -54.73 -28.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 73.31 111.114 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -64.66 -33.92 77.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 73.32 110.846 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.64 -56.39 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.87 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.73 -26.07 67.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.911 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.22 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.3 111.126 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -91.71 -26.61 18.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.29 -111.0 1.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 64.04 112.526 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.49 32.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 75.1 112.547 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -145.6 104.93 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 74.53 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.753 . . . . 75.15 112.465 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.909 0.385 . . . . 74.12 110.929 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -92.23 38.15 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 72.22 110.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.0 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 72.44 112.485 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -79.17 99.99 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 72.32 110.92 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.11 99.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 74.23 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.34 -25.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 75.12 111.101 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.25 172.55 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.858 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.62 110.4 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.8 p -67.35 -26.44 66.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 65.45 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -27.52 63.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 73.43 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -63.75 -30.05 71.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.895 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.08 103.4 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 72.23 112.432 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.77 -35.6 77.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 74.03 110.858 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t -68.59 -47.26 67.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.791 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -71.57 -31.56 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.24 111.134 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.45 -73.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.883 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -58.28 -39.43 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.23 -50.45 46.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 52.12 112.507 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -29.91 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 73.34 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -59.54 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.11 111.109 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -64.72 -28.89 69.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.897 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.0 t -60.32 -44.87 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 62.42 110.845 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.91 63.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.72 -39.68 7.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 70.11 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 74.43 111.095 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -56.91 -24.45 52.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.819 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -47.78 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 74.41 110.866 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -25.16 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.46 -49.69 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.43 111.09 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.19 -29.28 16.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 74.32 110.833 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.27 90.09 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 75.42 112.46 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.12 18.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 71.04 112.501 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.64 49.46 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 63.01 110.884 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 65.42 112.459 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.865 0.364 . . . . 75.21 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -82.05 131.15 35.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 75.23 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 -23.98 34.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 71.25 112.526 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -87.23 84.67 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 71.44 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 81.69 1.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 64.15 112.447 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.83 -35.19 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 75.22 111.098 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -79.35 -76.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.852 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.03 118.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.43 110.863 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -67.89 -45.63 73.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 72.12 111.118 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -63.3 -37.45 87.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 75.33 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 t -61.7 -22.65 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.817 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.85 86.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 64.3 112.462 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -61.76 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 70.51 110.866 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 m -68.23 -29.93 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.854 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 72.34 111.107 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.51 -43.98 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -63.09 -60.38 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.941 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.36 -44.22 58.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 73.41 112.484 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.43 -45.87 92.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 74.12 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.74 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.2 111.078 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -64.96 -26.46 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.894 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -41.71 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.88 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.0 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 72.5 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.12 64.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 52.34 112.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.86 -43.51 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 75.14 111.146 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.83 -24.56 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.852 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -63.59 -47.73 80.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.87 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -24.93 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.03 -25.99 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.43 111.08 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -90.96 -29.36 17.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.72 55.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 44.03 112.443 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 -142.6 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 73.33 112.537 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -94.99 -52.64 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 74.3 110.932 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 75.53 112.459 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.888 0.375 . . . . 73.33 110.929 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.9 t80 62.96 26.46 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 72.42 110.916 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.11 79.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 74.11 112.5 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.5 -27.36 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 75.44 110.892 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.01 19.4 14.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 73.24 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.9 m -75.82 -25.18 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 73.23 111.133 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.01 28.72 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.822 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.98 58.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.829 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -67.21 -28.01 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 74.21 111.132 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -56.33 -65.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.858 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -62.49 -27.46 69.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 72.21 110.845 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.64 116.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.469 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -68.34 -67.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 72.32 110.847 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -75.76 -29.7 58.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 64.02 110.86 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.4 t -64.72 -26.35 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 75.05 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.18 -55.8 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.858 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -51.87 -38.76 57.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.959 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.21 -36.8 38.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 63.4 112.501 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.65 -27.34 39.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 73.14 110.885 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -58.88 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.25 111.086 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -65.21 -32.78 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.896 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.7 t -52.23 -31.5 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 62.34 110.84 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.63 73.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 52.4 111.103 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.15 -36.0 86.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 72.3 112.507 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.01 -37.56 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 75.35 111.103 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.57 -46.02 84.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.43 -44.6 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.902 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -65.03 -30.49 71.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.874 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -26.0 60.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 74.23 111.11 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -84.43 -27.93 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.16 81.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 74.32 112.503 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.12 -132.78 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 65.41 112.518 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -94.38 -52.54 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 75.14 110.915 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 63.33 112.455 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.852 0.358 . . . . 70.31 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -83.81 -25.43 30.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -38.61 0.83 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 73.22 112.446 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 62.02 68.41 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.52 110.887 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 112.46 4.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 62.53 112.486 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.9 -14.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 71.34 111.13 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -74.55 -75.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 74.51 110.835 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -168.9 109.17 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.837 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 p -67.89 -12.57 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 72.01 111.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -58.11 -22.08 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.23 110.913 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -61.42 -18.89 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.843 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.5 72.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.727 . . . . 71.42 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -44.93 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 64.54 110.818 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -67.68 -39.99 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 64.53 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.53 -37.16 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -77.0 -74.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -50.73 -44.59 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.962 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.49 -47.38 51.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 64.44 112.484 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -35.35 80.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 74.43 110.857 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 -59.69 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 111.077 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.96 -26.15 68.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.864 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -61.87 -34.3 75.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.858 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.32 -31.56 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 75.01 111.12 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.49 -34.75 6.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 62.02 112.478 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.02 -37.93 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 73.22 111.143 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -63.41 -47.68 80.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.883 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.14 -49.48 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 71.3 110.857 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.73 -25.5 67.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.75 37.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.095 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -83.88 -27.7 28.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.31 84.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 72.52 112.488 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.63 38.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 53.33 112.519 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 60.77 40.52 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 61.23 110.906 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.25 112.483 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.877 0.37 . . . . 70.33 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -84.82 92.43 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.969 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.13 -30.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 73.11 112.491 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -157.5 129.86 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 71.04 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.17 159.33 27.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 73.14 112.476 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.27 -25.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 74.24 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -74.73 148.61 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.922 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m -71.45 141.27 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.2 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.8 p -67.36 -25.17 65.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 74.02 111.19 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -55.38 -44.62 76.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.911 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 m -62.09 -27.17 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 70.01 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.03 114.38 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 63.41 112.535 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -67.32 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 75.15 110.843 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -75.02 -26.82 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 75.32 110.881 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -68.62 -27.81 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 111.107 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.26 -54.74 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.88 -56.65 12.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.889 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.01 -33.83 64.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.522 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.1 -32.74 74.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 73.43 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -59.5 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 72.35 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -62.16 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -52.58 -41.86 64.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.846 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.06 71.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.05 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.95 -24.44 64.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 73.22 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -25.09 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 75.3 111.131 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.865 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -72.52 -27.16 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.52 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.89 -46.4 90.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.31 25.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.35 111.079 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -83.78 -29.26 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -113.24 -81.8 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 73.12 112.478 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.07 -137.61 6.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 72.34 112.529 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -95.19 -74.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 75.23 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.769 . . . . 74.34 112.464 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.929 0.395 . . . . 74.44 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.81 13.57 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.909 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.89 46.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 52.11 112.503 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -87.25 104.12 16.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 74.43 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.78 -50.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 74.02 112.515 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -69.12 -24.73 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 72.53 111.142 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.74 26.49 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.894 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -77.96 59.79 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.839 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -67.8 -29.14 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 75.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -49.34 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 p -70.42 -23.35 62.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.849 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.27 104.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 71.33 112.497 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -66.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 71.31 110.852 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.44 -33.13 73.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.895 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.91 -39.4 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 74.14 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.57 -72.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -51.69 -50.86 59.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.04 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.61 54.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 75.13 112.486 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.79 -33.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 72.55 110.912 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.19 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.34 111.136 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.44 -43.49 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.884 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -37.85 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.85 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.85 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.53 111.151 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.59 -38.62 63.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 72.33 112.521 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -59.05 -49.2 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 63.53 111.081 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -63.99 -45.86 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.885 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -60.9 -40.19 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.4 110.828 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.3 -30.66 71.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.942 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.69 87.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 61.15 111.12 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -26.53 20.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.06 -88.91 1.04 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 73.24 112.462 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.15 -92.03 1.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 65.12 112.556 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -149.92 105.05 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 73.11 110.924 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.32 112.495 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.869 0.366 . . . . 75.13 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -92.69 -15.1 27.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 75.54 110.934 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.92 -10.65 59.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 74.23 112.495 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.4 140.6 22.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 65.23 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.57 106.03 0.5 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 63.11 112.483 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.4 t -76.76 -24.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.344 . . . . 72.32 111.1 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.63 165.93 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 61.44 110.918 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -73.24 95.57 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.878 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 p -67.33 -19.65 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 73.52 111.181 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -54.97 -56.36 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 74.03 110.939 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -61.85 -58.35 8.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.91 88.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 72.21 112.493 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -69.87 -46.7 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 62.13 110.852 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 64.21 110.863 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.8 -24.23 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -67.88 -46.37 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.878 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -60.33 -61.71 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.13 -51.87 38.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 54.03 112.471 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.22 -48.25 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 71.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.71 -59.6 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.54 111.047 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.45 -37.26 80.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -58.82 -28.75 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -31.66 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 63.11 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -24.27 53.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 54.14 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.86 -36.33 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 73.01 111.13 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -63.71 -43.8 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 73.43 110.835 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -64.84 -42.23 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.828 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.71 -40.42 88.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.26 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.11 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -88.53 -27.65 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 73.13 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.14 82.35 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 51.21 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.57 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 70.12 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -144.62 87.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 73.15 110.919 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 71.41 112.482 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.928 0.394 . . . . 75.12 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 p90 38.64 42.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 72.12 110.924 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.06 -38.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 74.22 112.495 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -80.8 71.71 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 74.43 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.48 121.31 5.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.721 -0.752 . . . . 74.13 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.57 -43.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 71.42 111.126 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -79.51 168.32 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -76.6 141.77 40.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.853 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 p -67.15 -25.22 66.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.42 111.145 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -55.31 -49.39 72.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.898 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -62.94 -28.49 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.16 103.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 50.2 112.465 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -65.15 -65.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.05 110.885 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -69.97 -30.63 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.66 -26.17 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.5 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -73.52 -54.01 9.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.884 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.82 -43.05 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.954 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.42 -34.08 68.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.506 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -58.62 -34.3 71.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 65.11 110.916 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -55.09 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 62.41 111.068 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -68.88 -41.9 77.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.917 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -54.79 -29.28 54.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.822 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.49 94.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 71.42 111.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.53 -34.2 54.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 72.24 112.528 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.15 -37.12 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 73.4 111.13 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -62.78 -48.06 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 71.42 110.856 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.58 -46.78 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.855 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.03 -26.67 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.919 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.5 -28.87 48.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.4 111.109 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.65 -29.08 25.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.886 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.52 101.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 75.34 112.465 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 -128.14 1.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 74.44 112.458 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -94.67 -51.09 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 73.43 110.913 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 54.12 112.447 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.909 0.385 . . . . 63.42 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -93.04 18.68 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.75 12.15 80.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 61.33 112.441 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 41.46 39.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 64.55 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -128.49 95.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 74.13 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.1 m -76.22 -25.3 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 71.43 111.085 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -74.87 -170.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.826 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 t 63.99 27.44 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.0 p -65.67 -25.22 67.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 63.21 111.127 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.86 -42.86 76.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.903 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 t -62.21 -26.5 68.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.31 129.33 1.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.4 t -68.95 -67.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 74.42 110.887 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.76 -26.46 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.849 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.95 -28.67 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 74.44 111.163 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -70.94 -48.7 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -58.66 -40.82 84.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 64.33 110.919 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.02 25.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 74.31 112.465 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.46 -27.71 39.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 75.03 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -59.38 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 72.35 111.124 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -68.07 -27.86 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.861 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -60.38 -40.33 90.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.15 85.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.12 111.064 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -32.44 74.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 72.34 112.438 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.11 -41.6 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 70.15 111.164 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -62.5 -41.87 99.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -67.7 -44.05 78.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.2 110.844 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.15 -32.32 72.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.943 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -25.9 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.32 111.088 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -84.57 -26.48 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 72.52 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.22 82.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 64.45 112.465 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.1 -120.37 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 72.22 112.484 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.76 -73.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 74.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 63.32 112.482 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.892 0.377 . . . . 61.21 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -146.06 106.12 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.921 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.13 -33.04 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 63.12 112.487 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.37 103.19 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 63.04 110.946 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.95 17.33 55.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 64.13 112.512 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -76.6 -24.79 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 72.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -78.24 -7.18 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.868 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.7 54.33 10.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 65.52 110.868 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -68.49 -10.83 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.01 111.128 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.33 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.895 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -61.71 -25.73 67.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 71.41 110.869 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.85 -23.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 74.31 112.49 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -16.15 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 73.02 110.844 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -69.51 -41.27 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.874 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.44 -26.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.12 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.37 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.53 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -60.64 -43.73 97.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 73.1 110.923 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.21 -33.05 37.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 64.15 112.473 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -39.37 63.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.368 . . . . 73.15 110.887 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -56.93 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.078 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -55.23 -27.36 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 75.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -53.91 -37.73 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 65.33 111.073 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.77 64.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 74.42 112.519 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.84 -48.0 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 74.14 111.131 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -63.99 -23.4 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.865 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.43 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.852 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -26.12 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.89 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -45.76 70.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -91.91 -26.63 18.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.18 -93.06 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 75.22 112.467 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.58 139.16 2.68 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 74.02 112.464 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.99 68.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 75.2 110.912 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 71.3 112.498 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.86 0.362 . . . . 75.44 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -81.97 3.62 25.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.936 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.93 78.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 61.12 112.513 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.19 58.93 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 72.01 110.875 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 124.1 6.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 65.04 112.533 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -69.02 -14.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.12 111.123 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.87 156.26 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.24 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t 65.59 14.62 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 p -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 61.4 111.132 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -47.02 75.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.924 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -61.8 -17.93 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.836 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.49 123.86 1.71 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 74.04 112.506 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -58.25 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 71.32 110.856 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -76.19 -30.04 57.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 70.5 110.865 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.96 -24.1 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.44 111.16 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.73 -42.77 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.84 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.54 -55.72 24.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.43 86.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 62.32 112.54 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -60.86 -41.78 96.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 75.13 110.924 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -59.62 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -59.82 -24.58 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 75.14 110.917 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -20.0 28.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.824 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.64 -10.54 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 73.31 111.125 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.65 -28.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 62.35 112.462 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 m -53.18 -33.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 73.14 111.161 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -34.36 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.878 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -68.63 -58.47 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.843 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.8 -25.6 67.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.95 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.35 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.112 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.46 -29.17 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.2 -112.16 1.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.492 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.43 28.52 0.24 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.709 -0.758 . . . . 42.31 112.469 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.33 25.27 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 72.34 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 74.41 112.477 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.905 0.383 . . . . 75.35 110.936 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -79.56 -7.11 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.932 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.19 -24.76 60.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 75.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 t30 64.36 14.0 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 70.12 110.915 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 50.02 -169.6 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 72.55 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.9 t -79.01 -24.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 71.14 111.154 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -74.13 155.79 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -78.6 57.44 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.896 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -7.25 45.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.31 111.134 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -19.91 7.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.874 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -56.83 -22.47 36.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 75.15 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.745 . . . . 72.51 112.505 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 p -71.68 -33.6 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 73.33 110.836 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 m -66.73 -37.42 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.93 -40.66 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 71.2 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -82.15 -77.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -64.27 -53.97 40.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.87 -32.65 4.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.524 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -42.15 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 63.13 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -59.55 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.51 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -50.88 -31.37 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.856 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -52.05 -32.41 34.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.35 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.32 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 71.24 111.139 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.9 -33.12 6.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 74.25 112.486 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.71 -39.98 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 71.02 111.136 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.9 -44.67 96.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 71.12 110.82 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.45 -43.02 77.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 74.51 110.847 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.49 -26.79 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 71.35 110.931 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -25.34 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.096 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -84.02 -26.66 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.3 103.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 73.13 112.441 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.89 41.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 63.54 112.497 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m120 60.88 36.5 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 71.12 110.916 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 70.21 112.46 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.95 0.405 . . . . 74.25 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -82.21 111.78 18.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 72.42 110.959 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.62 24.26 3.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 71.12 112.495 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.96 143.05 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 74.51 110.892 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.95 99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 52.31 112.504 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.65 -32.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 73.21 111.088 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -82.38 -29.34 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.33 -35.02 55.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.22 110.835 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -67.43 -20.24 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.115 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -64.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.871 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -69.39 -38.83 78.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.27 102.34 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 61.15 112.504 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -57.64 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 65.32 110.921 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -68.6 -31.48 70.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 71.32 110.847 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.69 -32.11 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 72.34 111.163 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.6 -74.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.3 110.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -54.06 -39.11 65.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.27 -42.26 55.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 74.53 112.456 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.91 69.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 75.1 110.871 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -59.54 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -54.24 -29.35 46.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 64.12 110.933 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -61.82 -37.33 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.875 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.31 111.112 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.83 41.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 65.44 112.448 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.68 -49.51 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 73.23 111.092 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -57.01 -24.4 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.42 110.835 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.87 -47.44 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.17 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.894 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.88 79.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.53 111.091 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -92.06 -29.26 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.848 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.61 69.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 74.51 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.48 -142.28 4.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 64.12 112.51 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.98 78.76 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 75.33 110.902 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 75.34 112.475 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.956 0.408 . . . . 74.11 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -146.95 -49.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 71.12 110.91 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.85 61.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 65.11 112.507 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -87.54 -166.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 70.41 110.882 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.0 -54.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 72.14 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -69.44 -23.21 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 72.02 111.136 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -79.49 -173.94 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.79 167.91 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 72.42 110.859 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -24.28 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.186 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -55.37 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.911 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.7 t -63.73 -26.63 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 72.24 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 113.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 70.44 112.484 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -62.24 -62.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 72.24 110.84 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.23 110.885 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.33 -25.24 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.33 111.14 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -69.84 -53.23 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.87 -45.18 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 73.54 110.914 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.79 -29.91 62.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 73.23 112.465 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -35.58 73.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 71.34 110.87 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -58.34 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.067 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -66.0 -30.26 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.845 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -60.1 -34.02 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.855 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.45 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 55.11 111.099 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.37 -39.12 57.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.737 . . . . 72.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.7 -37.39 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 75.13 111.141 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -64.18 -46.01 85.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.812 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.99 -38.5 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.47 -43.33 85.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.937 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.27 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.101 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -85.1 -27.63 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.85 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.82 85.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 64.22 112.522 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.24 -118.2 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 55.23 112.532 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -146.71 101.32 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 62.32 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 72.43 112.504 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 tptt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.787 0.327 . . . . 74.5 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -157.62 144.58 18.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.946 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.16 54.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 74.32 110.901 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 -45.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 73.42 112.455 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.41 98.66 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 73.53 110.935 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.29 127.68 8.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 54.25 112.502 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.33 -42.87 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 74.33 111.077 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -77.63 166.72 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.24 110.814 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -71.26 118.01 13.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.894 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -60.39 -25.16 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.155 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -48.93 73.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -67.73 -57.35 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.838 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.87 83.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 64.14 112.524 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -67.67 -56.11 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 62.22 110.86 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -71.48 -33.33 69.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 72.04 110.841 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -71.04 -25.45 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -70.31 -51.89 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 61.44 110.881 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.78 -53.79 35.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.988 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.26 -43.04 99.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 74.3 112.487 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.47 -40.18 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 74.24 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.73 -58.3 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 64.34 111.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.22 -45.91 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 t -54.43 -36.87 64.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.39 93.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 53.42 111.132 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.15 -29.41 74.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 75.21 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.11 -30.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 75.12 111.136 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -62.36 -35.24 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.817 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -67.46 -51.17 54.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mp -68.75 -25.75 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.933 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.58 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 64.52 111.099 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -83.82 -25.95 29.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.89 76.41 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 64.3 112.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.38 -130.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 71.4 112.485 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -95.2 -49.89 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 75.32 110.843 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.87 -82.4 0.85 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 50.51 112.487 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -146.34 26.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 64.44 110.876 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.872 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.8 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.836 0.351 . . . . 74.45 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -163.64 130.58 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.927 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 62.44 48.8 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 75.21 110.893 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.24 -65.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 71.22 112.465 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -87.06 103.26 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 75.41 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.43 116.47 5.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 71.23 112.465 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.49 -51.52 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 74.22 111.105 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -82.29 -75.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.856 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t -168.66 121.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.871 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 t -67.43 -24.84 65.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 71.4 111.154 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -55.33 -44.11 75.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 75.45 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -67.45 -33.83 75.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.83 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.6 103.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 65.24 112.491 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.92 97.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.14 110.832 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -68.51 -39.48 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.855 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.9 -24.25 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 73.23 111.11 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -69.17 -43.32 74.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.897 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -62.54 -59.9 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.962 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.41 -24.21 37.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 74.45 112.547 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -43.31 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 71.15 110.924 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -59.5 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 63.12 111.139 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -53.88 -32.37 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.893 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.49 -32.58 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.845 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.23 39.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 71.04 111.148 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.47 -34.52 42.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.483 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.41 -43.78 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 72.22 111.159 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -61.84 -44.42 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.5 110.851 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -63.98 -32.7 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.61 -30.83 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 74.55 110.938 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.5 68.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.43 111.08 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.67 -26.67 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.3 110.929 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.38 78.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 73.53 112.477 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.14 -108.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 55.54 112.487 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -151.71 107.53 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 75.21 110.859 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.8 -113.85 1.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 75.32 112.495 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.99 28.43 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 74.53 110.923 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.6 m0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.901 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 pttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.771 0.319 . . . . 75.44 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -160.26 132.24 6.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.889 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 t80 62.04 52.17 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 70.52 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.0 -38.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 71.13 112.499 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -85.0 101.4 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 74.35 110.894 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.45 115.51 1.46 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 73.01 112.485 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.66 -30.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 75.42 111.145 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -76.97 163.72 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.839 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.44 122.12 22.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.843 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -66.27 -30.25 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 75.34 111.163 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -57.11 -40.16 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 75.35 110.881 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m -64.68 -28.31 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.902 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.63 102.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 74.15 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -62.94 -43.2 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 75.22 110.833 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -68.72 -38.74 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 74.33 110.872 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.57 -27.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 75.5 111.13 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.17 -70.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.85 -38.16 54.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.97 -45.95 84.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 75.3 112.471 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.56 -31.67 62.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 75.21 110.865 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -57.56 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.12 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -64.97 -43.08 93.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 72.35 110.905 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -54.51 -29.98 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.32 82.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.41 111.105 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.49 -33.88 55.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 73.2 112.503 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.6 t -57.54 -43.47 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 74.4 111.111 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.32 -45.29 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -65.1 -35.93 82.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.912 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.76 -26.65 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.95 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 -34.48 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.05 111.112 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -90.24 -27.89 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.22 88.57 0.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 54.23 112.464 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.23 -19.8 0.73 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 64.32 112.494 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.94 46.05 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 62.43 110.837 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.06 86.37 1.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 41.42 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -100.11 -28.65 12.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 74.24 110.826 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 m0 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.951 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.776 0.322 . . . . 71.4 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -156.7 130.21 8.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 72.05 110.942 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.5 t80 57.0 30.39 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.904 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 41.62 99.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 65.34 112.461 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 53.82 71.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 71.01 110.918 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.81 158.18 20.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 65.12 112.443 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.2 m -76.72 -20.88 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 73.41 111.161 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -74.6 123.69 25.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -77.26 173.1 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.88 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -67.5 -17.99 64.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 72.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -55.06 -57.04 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.911 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -61.87 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 72.22 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.92 103.49 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 70.13 112.46 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -65.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 74.53 110.874 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -32.48 72.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.873 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.7 t -65.37 -35.23 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 71.4 111.113 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -76.61 -70.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.926 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -51.88 -44.72 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.973 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -59.74 8.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.543 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.41 73.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 74.51 110.873 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.82 -55.96 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 73.54 111.085 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -67.47 -26.22 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.827 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -61.8 -29.82 70.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.852 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.73 72.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -39.1 13.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 72.31 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -54.82 -43.12 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 75.44 111.125 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.67 -46.22 87.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.916 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -61.32 -49.0 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.887 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.67 -26.25 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.93 -25.59 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.12 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -84.31 -26.14 28.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 70.34 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.66 78.74 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.723 -0.751 . . . . 54.14 112.457 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.79 30.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 70.45 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 33.34 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 73.05 110.897 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.62 -94.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 70.03 112.484 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -99.87 26.35 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 74.41 110.858 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 m95 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.964 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.83 0.347 . . . . 74.12 110.919 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -81.88 124.9 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.905 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 50.88 30.54 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.12 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.67 105.02 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 72.04 112.462 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -78.68 101.5 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 73.1 110.897 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.35 152.08 17.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 75.53 112.526 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.71 -22.87 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 75.24 111.126 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -76.64 -30.25 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.888 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -33.23 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.843 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.5 p -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 73.52 111.126 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -55.1 -71.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -69.41 -57.62 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.84 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.58 113.74 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 62.54 112.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.1 t -69.38 -68.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 73.43 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -72.28 -25.75 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 70.11 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.59 -26.78 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 64.31 111.121 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -76.67 -43.88 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.843 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -63.36 -60.89 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.94 -37.33 44.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 75.53 112.466 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -70.27 -33.03 71.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 74.54 110.87 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -59.62 3.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.13 111.09 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -59.0 -26.19 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.865 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -59.02 -37.55 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.887 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.44 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.14 111.109 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.69 -44.12 7.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 61.35 112.483 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.77 -42.7 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 75.25 111.154 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -64.65 -39.06 93.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.854 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -67.9 -37.37 81.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.11 -26.07 64.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.43 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.24 111.113 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.91 -28.56 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 71.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.74 81.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 72.31 112.469 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.0 141.49 3.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 73.34 112.474 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.71 73.68 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 64.01 110.89 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.68 65.56 4.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 75.2 112.478 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -100.56 -26.35 13.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 72.41 110.845 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 m0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.931 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.5 mttm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.817 0.341 . . . . 73.44 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -158.3 -179.34 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.881 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -92.29 37.98 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 74.53 110.96 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.84 -36.56 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 65.24 112.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -79.48 100.84 7.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 65.23 110.847 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.38 55.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 75.3 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.6 m -72.3 -34.89 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 72.21 111.161 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -82.39 -20.12 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 m -69.83 -18.13 63.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.847 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.0 t -59.6 -24.0 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.4 111.144 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -55.22 -61.72 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 73.54 110.913 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 t -69.34 -41.39 76.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.825 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.58 106.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 74.03 112.52 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -62.35 -51.22 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 71.35 110.896 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -68.5 -36.63 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 72.31 110.855 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.5 t -71.55 -24.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.107 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -70.12 -57.29 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.79 -57.99 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.929 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.14 -42.57 55.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 73.24 112.492 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -60.52 -29.72 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 64.4 110.879 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -59.44 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.134 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -61.76 -33.89 74.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.875 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -54.92 -29.94 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 70.13 110.887 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.67 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.22 -34.1 21.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 52.13 112.472 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.1 t -54.73 -28.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 73.31 111.114 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -64.66 -33.92 77.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 73.32 110.846 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.64 -56.39 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.87 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.73 -26.07 67.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.911 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.22 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.3 111.126 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -91.71 -26.61 18.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.29 -111.0 1.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 64.04 112.526 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.49 32.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 75.1 112.547 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -145.6 104.93 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 74.53 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.67 19.81 2.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.753 . . . . 75.15 112.465 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -100.49 -27.11 13.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 75.24 110.881 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 m0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.914 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.85 0.357 . . . . 74.42 110.88 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -163.58 -179.93 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.929 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -92.23 38.15 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 72.22 110.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.0 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 72.44 112.485 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -79.17 99.99 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 72.32 110.92 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.11 99.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 74.23 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.34 -25.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 75.12 111.101 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.25 172.55 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.858 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.62 110.4 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.8 p -67.35 -26.44 66.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 65.45 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -27.52 63.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 73.43 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -63.75 -30.05 71.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.895 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.08 103.4 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 72.23 112.432 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.77 -35.6 77.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 74.03 110.858 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t -68.59 -47.26 67.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.791 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -71.57 -31.56 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.24 111.134 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.45 -73.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.883 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -58.28 -39.43 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.23 -50.45 46.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 52.12 112.507 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -29.91 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 73.34 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -59.54 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.11 111.109 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -64.72 -28.89 69.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.897 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.0 t -60.32 -44.87 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 62.42 110.845 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.91 63.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.72 -39.68 7.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 70.11 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 74.43 111.095 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -56.91 -24.45 52.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.819 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -47.78 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 74.41 110.866 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -25.16 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.46 -49.69 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.43 111.09 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.19 -29.28 16.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 74.32 110.833 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.27 90.09 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 75.42 112.46 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.12 18.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 71.04 112.501 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.64 49.46 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 63.01 110.884 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -107.9 27.79 13.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 65.42 112.459 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -104.31 -15.2 15.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 73.24 110.857 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.929 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 75.54 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.82 -169.07 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.926 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -82.05 131.15 35.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 75.23 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 -23.98 34.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 71.25 112.526 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -87.23 84.67 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 71.44 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 81.69 1.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 64.15 112.447 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.83 -35.19 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 75.22 111.098 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -79.35 -76.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.852 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.03 118.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.43 110.863 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -67.89 -45.63 73.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 72.12 111.118 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -63.3 -37.45 87.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 75.33 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 t -61.7 -22.65 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.817 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.85 86.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 64.3 112.462 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -61.76 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 70.51 110.866 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 m -68.23 -29.93 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.854 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 72.34 111.107 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.51 -43.98 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -63.09 -60.38 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.941 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.36 -44.22 58.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 73.41 112.484 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.43 -45.87 92.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 74.12 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.74 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.2 111.078 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -64.96 -26.46 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.894 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -41.71 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.88 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.0 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 72.5 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.12 64.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 52.34 112.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.86 -43.51 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 75.14 111.146 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.83 -24.56 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.852 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -63.59 -47.73 80.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.87 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -24.93 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.03 -25.99 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.43 111.08 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -90.96 -29.36 17.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.72 55.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 44.03 112.443 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 -142.6 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 73.33 112.537 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -94.99 -52.64 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 74.3 110.932 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.22 62.04 6.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 75.53 112.459 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -104.32 24.98 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 75.34 110.847 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.929 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 73.23 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -157.43 131.36 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 73.33 110.929 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.9 t80 62.96 26.46 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 72.42 110.916 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.11 79.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 74.11 112.5 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.5 -27.36 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 75.44 110.892 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.01 19.4 14.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 73.24 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.9 m -75.82 -25.18 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 73.23 111.133 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.01 28.72 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.822 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.98 58.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.829 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -67.21 -28.01 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 74.21 111.132 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -56.33 -65.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.858 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -62.49 -27.46 69.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 72.21 110.845 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.64 116.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.469 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -68.34 -67.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 72.32 110.847 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -75.76 -29.7 58.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 64.02 110.86 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.4 t -64.72 -26.35 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 75.05 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.18 -55.8 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.858 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -51.87 -38.76 57.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.959 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.21 -36.8 38.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 63.4 112.501 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.65 -27.34 39.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 73.14 110.885 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -58.88 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.25 111.086 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -65.21 -32.78 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.896 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.7 t -52.23 -31.5 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 62.34 110.84 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.63 73.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 52.4 111.103 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.15 -36.0 86.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 72.3 112.507 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.01 -37.56 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 75.35 111.103 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.57 -46.02 84.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.43 -44.6 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.902 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -65.03 -30.49 71.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.874 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -26.0 60.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 74.23 111.11 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -84.43 -27.93 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.16 81.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 74.32 112.503 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.12 -132.78 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 65.41 112.518 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -94.38 -52.54 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 75.14 110.915 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.05 24.03 41.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 63.33 112.455 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -100.32 -27.07 13.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 65.51 110.881 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.961 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.738 0.304 . . . . 74.24 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -78.91 -169.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 70.31 110.942 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -83.81 -25.43 30.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -38.61 0.83 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 73.22 112.446 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 62.02 68.41 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.52 110.887 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 112.46 4.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 62.53 112.486 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.9 -14.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 71.34 111.13 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -74.55 -75.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 74.51 110.835 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -168.9 109.17 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.837 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 p -67.89 -12.57 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 72.01 111.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -58.11 -22.08 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.23 110.913 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -61.42 -18.89 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.843 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.5 72.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.727 . . . . 71.42 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -44.93 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 64.54 110.818 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -67.68 -39.99 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 64.53 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.53 -37.16 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -77.0 -74.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -50.73 -44.59 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.962 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.49 -47.38 51.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 64.44 112.484 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -35.35 80.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 74.43 110.857 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 -59.69 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 111.077 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.96 -26.15 68.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.864 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -61.87 -34.3 75.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.858 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.32 -31.56 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 75.01 111.12 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.49 -34.75 6.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 62.02 112.478 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.02 -37.93 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 73.22 111.143 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -63.41 -47.68 80.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.883 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.14 -49.48 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 71.3 110.857 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.73 -25.5 67.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.75 37.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.095 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -83.88 -27.7 28.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.31 84.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 72.52 112.488 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.63 38.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 53.33 112.519 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 60.77 40.52 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 61.23 110.906 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.2 -64.97 1.61 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.25 112.483 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -144.36 -57.96 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 74.23 110.915 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.925 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.827 0.346 . . . . 75.25 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -76.01 -170.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 70.33 110.923 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -84.82 92.43 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.969 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.13 -30.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 73.11 112.491 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -157.5 129.86 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 71.04 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.17 159.33 27.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 73.14 112.476 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.27 -25.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 74.24 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -74.73 148.61 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.922 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m -71.45 141.27 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.2 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.8 p -67.36 -25.17 65.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 74.02 111.19 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -55.38 -44.62 76.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.911 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 m -62.09 -27.17 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 70.01 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.03 114.38 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 63.41 112.535 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -67.32 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 75.15 110.843 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -75.02 -26.82 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 75.32 110.881 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -68.62 -27.81 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 111.107 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.26 -54.74 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.88 -56.65 12.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.889 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.01 -33.83 64.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.522 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.1 -32.74 74.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 73.43 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -59.5 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 72.35 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -62.16 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -52.58 -41.86 64.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.846 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.06 71.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.05 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.95 -24.44 64.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 73.22 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -25.09 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 75.3 111.131 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.865 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -72.52 -27.16 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.52 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.89 -46.4 90.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.31 25.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.35 111.079 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -83.78 -29.26 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -113.24 -81.8 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 73.12 112.478 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.07 -137.61 6.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 72.34 112.529 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -95.19 -74.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 75.23 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.18 22.3 13.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.769 . . . . 74.34 112.464 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -107.87 -73.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 74.11 110.874 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.3 m95 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.92 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.338 . . . . 73.03 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -81.66 164.72 21.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.884 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.81 13.57 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.909 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.89 46.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 52.11 112.503 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -87.25 104.12 16.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 74.43 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.78 -50.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 74.02 112.515 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -69.12 -24.73 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 72.53 111.142 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.74 26.49 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.894 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -77.96 59.79 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.839 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -67.8 -29.14 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 75.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -49.34 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 p -70.42 -23.35 62.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.849 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.27 104.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 71.33 112.497 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -66.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 71.31 110.852 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.44 -33.13 73.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.895 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.91 -39.4 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 74.14 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.57 -72.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -51.69 -50.86 59.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.04 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.61 54.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 75.13 112.486 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.79 -33.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 72.55 110.912 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.19 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.34 111.136 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.44 -43.49 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.884 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -37.85 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.85 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.85 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.53 111.151 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.59 -38.62 63.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 72.33 112.521 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -59.05 -49.2 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 63.53 111.081 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -63.99 -45.86 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.885 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -60.9 -40.19 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.4 110.828 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.3 -30.66 71.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.942 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.69 87.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 61.15 111.12 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -26.53 20.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.06 -88.91 1.04 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 73.24 112.462 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.15 -92.03 1.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 65.12 112.556 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -149.92 105.05 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 73.11 110.924 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.58 90.63 0.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.32 112.495 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -104.75 1.87 29.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 75.43 110.899 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.7 m95 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.914 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.6 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.746 0.308 . . . . 75.54 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -83.42 -80.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 75.13 110.94 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -92.69 -15.1 27.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 75.54 110.934 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.92 -10.65 59.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 74.23 112.495 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.4 140.6 22.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 65.23 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.57 106.03 0.5 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 63.11 112.483 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.4 t -76.76 -24.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.344 . . . . 72.32 111.1 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.63 165.93 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 61.44 110.918 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -73.24 95.57 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.878 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 p -67.33 -19.65 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 73.52 111.181 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -54.97 -56.36 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 74.03 110.939 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -61.85 -58.35 8.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.91 88.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 72.21 112.493 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -69.87 -46.7 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 62.13 110.852 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 64.21 110.863 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.8 -24.23 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -67.88 -46.37 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.878 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -60.33 -61.71 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.13 -51.87 38.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 54.03 112.471 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.22 -48.25 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 71.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.71 -59.6 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.54 111.047 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.45 -37.26 80.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -58.82 -28.75 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -31.66 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 63.11 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -24.27 53.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 54.14 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.86 -36.33 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 73.01 111.13 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -63.71 -43.8 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 73.43 110.835 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -64.84 -42.23 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.828 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.71 -40.42 88.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.26 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.11 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -88.53 -27.65 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 73.13 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.14 82.35 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 51.21 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.57 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 70.12 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -144.62 87.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 73.15 110.919 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.85 39.74 1.68 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 71.41 112.482 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.39 -26.56 13.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 62.12 110.874 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.904 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.766 0.317 . . . . 74.25 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -157.09 155.96 31.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.12 110.908 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 p90 38.64 42.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 72.12 110.924 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.06 -38.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 74.22 112.495 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -80.8 71.71 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 74.43 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.48 121.31 5.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.721 -0.752 . . . . 74.13 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.57 -43.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 71.42 111.126 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -79.51 168.32 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -76.6 141.77 40.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.853 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 p -67.15 -25.22 66.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.42 111.145 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -55.31 -49.39 72.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.898 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -62.94 -28.49 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.16 103.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 50.2 112.465 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -65.15 -65.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.05 110.885 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -69.97 -30.63 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.66 -26.17 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.5 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -73.52 -54.01 9.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.884 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.82 -43.05 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.954 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.42 -34.08 68.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.506 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -58.62 -34.3 71.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 65.11 110.916 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -55.09 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 62.41 111.068 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -68.88 -41.9 77.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.917 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -54.79 -29.28 54.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.822 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.49 94.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 71.42 111.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.53 -34.2 54.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 72.24 112.528 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -55.15 -37.12 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 73.4 111.13 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -62.78 -48.06 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 71.42 110.856 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.58 -46.78 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.855 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.03 -26.67 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.919 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.5 -28.87 48.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.4 111.109 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.65 -29.08 25.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.886 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.52 101.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 75.34 112.465 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 -128.14 1.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 74.44 112.458 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -94.67 -51.09 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 73.43 110.913 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.83 84.67 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 54.12 112.447 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -104.39 25.14 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 75.22 110.844 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.937 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 73.54 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -74.36 -77.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.906 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -93.04 18.68 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.75 12.15 80.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 61.33 112.441 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 41.46 39.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 64.55 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -128.49 95.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 74.13 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.1 m -76.22 -25.3 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 71.43 111.085 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -74.87 -170.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.826 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 t 63.99 27.44 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.0 p -65.67 -25.22 67.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 63.21 111.127 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.86 -42.86 76.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.903 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 t -62.21 -26.5 68.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.31 129.33 1.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.4 t -68.95 -67.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 74.42 110.887 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.76 -26.46 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.849 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.95 -28.67 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 74.44 111.163 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -70.94 -48.7 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -58.66 -40.82 84.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 64.33 110.919 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.02 25.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 74.31 112.465 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.46 -27.71 39.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 75.03 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -59.38 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 72.35 111.124 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -68.07 -27.86 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.861 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -60.38 -40.33 90.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.15 85.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.12 111.064 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -32.44 74.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 72.34 112.438 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.11 -41.6 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 70.15 111.164 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -62.5 -41.87 99.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -67.7 -44.05 78.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.2 110.844 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.15 -32.32 72.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.943 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -25.9 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.32 111.088 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -84.57 -26.48 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 72.52 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.22 82.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 64.45 112.465 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.1 -120.37 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 72.22 112.484 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.76 -73.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 74.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.61 28.55 67.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 63.32 112.482 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -100.49 -27.59 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 74.12 110.91 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.9 m0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.912 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.784 0.326 . . . . 73.32 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -81.64 -75.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 61.21 110.931 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -146.06 106.12 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.921 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.13 -33.04 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 63.12 112.487 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.37 103.19 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 63.04 110.946 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.95 17.33 55.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 64.13 112.512 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -76.6 -24.79 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 72.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -78.24 -7.18 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.868 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.7 54.33 10.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 65.52 110.868 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -68.49 -10.83 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.01 111.128 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.33 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.895 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -61.71 -25.73 67.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 71.41 110.869 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.85 -23.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 74.31 112.49 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -16.15 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 73.02 110.844 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -69.51 -41.27 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.874 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.44 -26.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.12 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.37 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.53 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -60.64 -43.73 97.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 73.1 110.923 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.21 -33.05 37.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 64.15 112.473 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -39.37 63.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.368 . . . . 73.15 110.887 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -56.93 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.078 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -55.23 -27.36 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 75.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -53.91 -37.73 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 65.33 111.073 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.77 64.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 74.42 112.519 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.84 -48.0 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 74.14 111.131 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -63.99 -23.4 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.865 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.43 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.852 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -26.12 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.89 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -45.76 70.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -91.91 -26.63 18.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.18 -93.06 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 75.22 112.467 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.58 139.16 2.68 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 74.02 112.464 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.99 68.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 75.2 110.912 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.32 -94.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 71.3 112.498 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -108.26 25.58 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 70.43 110.942 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.01 110.931 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.784 0.326 . . . . 72.14 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -152.9 174.76 13.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.96 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -81.97 3.62 25.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.936 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.93 78.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 61.12 112.513 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.19 58.93 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 72.01 110.875 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 124.1 6.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 65.04 112.533 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -69.02 -14.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.12 111.123 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.87 156.26 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.24 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t 65.59 14.62 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 p -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 61.4 111.132 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -47.02 75.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.924 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -61.8 -17.93 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.836 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.49 123.86 1.71 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 74.04 112.506 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -58.25 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 71.32 110.856 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -76.19 -30.04 57.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 70.5 110.865 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.96 -24.1 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.44 111.16 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.73 -42.77 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.84 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.54 -55.72 24.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.43 86.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 62.32 112.54 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -60.86 -41.78 96.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 75.13 110.924 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -59.62 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -59.82 -24.58 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 75.14 110.917 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -20.0 28.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.824 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.64 -10.54 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 73.31 111.125 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.65 -28.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 62.35 112.462 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 m -53.18 -33.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 73.14 111.161 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -34.36 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.878 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -68.63 -58.47 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.843 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.8 -25.6 67.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.95 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.35 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.112 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.46 -29.17 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.2 -112.16 1.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.492 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.43 28.52 0.24 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.709 -0.758 . . . . 42.31 112.469 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.33 25.27 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 72.34 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.37 18.38 23.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 74.41 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -100.55 26.56 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 72.14 110.844 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.2 m95 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.946 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.779 0.323 . . . . 74.34 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -152.9 -166.82 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 75.35 110.936 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -79.56 -7.11 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.932 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.19 -24.76 60.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 75.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 t30 64.36 14.0 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 70.12 110.915 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 50.02 -169.6 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 72.55 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.9 t -79.01 -24.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 71.14 111.154 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -74.13 155.79 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -78.6 57.44 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.896 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -7.25 45.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.31 111.134 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -19.91 7.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.874 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -56.83 -22.47 36.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 75.15 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.745 . . . . 72.51 112.505 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 p -71.68 -33.6 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 73.33 110.836 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 m -66.73 -37.42 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.93 -40.66 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 71.2 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -82.15 -77.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -64.27 -53.97 40.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.87 -32.65 4.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.524 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -42.15 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 63.13 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -59.55 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.51 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -50.88 -31.37 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.856 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -52.05 -32.41 34.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.35 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.32 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 71.24 111.139 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.9 -33.12 6.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 74.25 112.486 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.71 -39.98 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 71.02 111.136 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.9 -44.67 96.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 71.12 110.82 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.45 -43.02 77.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 74.51 110.847 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.49 -26.79 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 71.35 110.931 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -25.34 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.096 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -84.02 -26.66 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.3 103.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 73.13 112.441 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.89 41.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 63.54 112.497 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m120 60.88 36.5 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 71.12 110.916 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.82 -29.53 55.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 70.21 112.46 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -99.71 24.93 7.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 74.3 110.866 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.948 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.767 0.318 . . . . 75.44 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -154.02 -174.95 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.879 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -82.21 111.78 18.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 72.42 110.959 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.62 24.26 3.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 71.12 112.495 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.96 143.05 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 74.51 110.892 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.95 99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 52.31 112.504 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.65 -32.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 73.21 111.088 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -82.38 -29.34 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.33 -35.02 55.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.22 110.835 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -67.43 -20.24 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.115 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -64.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.871 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -69.39 -38.83 78.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.27 102.34 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 61.15 112.504 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -57.64 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 65.32 110.921 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -68.6 -31.48 70.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 71.32 110.847 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.69 -32.11 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 72.34 111.163 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.6 -74.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.3 110.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -54.06 -39.11 65.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.27 -42.26 55.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 74.53 112.456 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.91 69.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 75.1 110.871 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -59.54 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -54.24 -29.35 46.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 64.12 110.933 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -61.82 -37.33 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.875 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.31 111.112 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.83 41.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 65.44 112.448 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.68 -49.51 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 73.23 111.092 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -57.01 -24.4 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.42 110.835 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.87 -47.44 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.17 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.894 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.88 79.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.53 111.091 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -92.06 -29.26 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.848 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.61 69.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 74.51 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.48 -142.28 4.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 64.12 112.51 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.98 78.76 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 75.33 110.902 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -136.19 -134.08 3.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 75.34 112.475 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 69.45 39.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 75.42 110.884 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.91 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.3 tttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.347 . . . . 74.23 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -80.75 -75.86 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.919 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -146.95 -49.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 71.12 110.91 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.85 61.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 65.11 112.507 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -87.54 -166.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 70.41 110.882 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.0 -54.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 72.14 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -69.44 -23.21 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 72.02 111.136 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -79.49 -173.94 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.79 167.91 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 72.42 110.859 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -24.28 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.186 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -55.37 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.911 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.7 t -63.73 -26.63 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 72.24 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 113.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 70.44 112.484 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -62.24 -62.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 72.24 110.84 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.23 110.885 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.33 -25.24 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.33 111.14 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -69.84 -53.23 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.87 -45.18 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 73.54 110.914 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.79 -29.91 62.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 73.23 112.465 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -35.58 73.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 71.34 110.87 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -58.34 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.067 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -66.0 -30.26 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.845 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -60.1 -34.02 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.855 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.45 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 55.11 111.099 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.37 -39.12 57.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.737 . . . . 72.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.7 -37.39 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 75.13 111.141 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -64.18 -46.01 85.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.812 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.99 -38.5 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.47 -43.33 85.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.937 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.27 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.101 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -85.1 -27.63 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.85 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.82 85.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 64.22 112.522 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.24 -118.2 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 55.23 112.532 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -146.71 101.32 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 62.32 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.87 57.2 0.72 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 72.43 112.504 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.7 t80 69.89 75.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 74.21 110.879 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 m95 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.915 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.926 0.393 . . . . 70.23 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.16 54.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 74.32 110.901 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 -45.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 73.42 112.455 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.41 98.66 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 64.15 110.935 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.29 127.68 8.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 54.25 112.502 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.33 -42.87 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 74.33 111.077 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -77.63 166.72 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.24 110.814 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -71.26 118.01 13.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.894 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -60.39 -25.16 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.155 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -48.93 73.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -67.73 -57.35 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.838 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.87 83.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 64.14 112.524 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -67.67 -56.11 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 62.22 110.86 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -71.48 -33.33 69.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 72.04 110.841 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -71.04 -25.45 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -70.31 -51.89 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 41.02 110.881 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.78 -53.79 35.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.988 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.26 -43.04 99.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 74.3 112.487 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.47 -40.18 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 73.01 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.73 -58.3 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 53.54 111.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.22 -45.91 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 t -54.43 -36.87 64.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.39 93.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 53.42 111.132 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -66.15 -29.41 74.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 75.21 112.491 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 35' ' ' GLY . 93.7 t -55.11 -30.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 75.12 111.136 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -62.36 -35.24 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.817 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -67.46 -51.17 54.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 25' ' ' GLY . 3.3 mp -68.75 -25.75 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.58 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 41.44 111.099 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -83.82 -25.95 29.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.89 76.41 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.38 -130.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 71.4 112.485 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -95.2 -49.89 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 75.32 110.843 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 26' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 50.51 112.487 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.8 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.916 0.389 . . . . 64.34 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 62.44 48.8 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 75.21 110.893 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.24 -65.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 71.22 112.465 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -87.06 103.26 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 75.41 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.43 116.47 5.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 71.23 112.465 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.49 -51.52 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 63.15 111.105 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -82.29 -75.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.856 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t -168.66 121.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 41.21 110.871 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 t -67.43 -24.84 65.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 71.4 111.154 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -55.33 -44.11 75.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -67.45 -33.83 75.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.83 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.6 103.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 65.24 112.491 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.92 97.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.14 110.832 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -68.51 -39.48 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 53.55 110.855 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.9 -24.25 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 65.01 111.11 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -69.17 -43.32 74.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.897 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -62.54 -59.9 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.0 110.962 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.41 -24.21 37.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 74.45 112.547 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -43.31 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 71.15 110.924 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -59.5 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 61.33 111.139 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.8 m-85 -53.88 -32.37 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 60.12 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.49 -32.58 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.845 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.23 39.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 45.33 111.148 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.47 -34.52 42.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.483 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 22' ' ' PHE . 62.0 t -59.41 -43.78 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 72.22 111.159 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -61.84 -44.42 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.5 110.851 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -63.98 -32.7 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.61 -30.83 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 74.55 110.938 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.5 68.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 64.51 111.08 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.67 -26.67 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.3 110.929 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.38 78.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 54.41 112.477 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.14 -108.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 55.54 112.487 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -151.71 107.53 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 74.31 110.859 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 75.32 112.495 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.3 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.963 0.411 . . . . 70.22 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 t80 62.04 52.17 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 64.25 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.0 -38.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 65.04 112.499 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -85.0 101.4 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 74.35 110.894 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.45 115.51 1.46 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.485 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.66 -30.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 74.14 111.145 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -76.97 163.72 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.839 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.44 122.12 22.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.843 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -66.27 -30.25 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 75.34 111.163 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -57.11 -40.16 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 45.24 110.881 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m -64.68 -28.31 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 65.54 110.902 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.63 102.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 74.15 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -62.94 -43.2 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 75.22 110.833 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -68.72 -38.74 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 52.42 110.872 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.57 -27.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.42 111.13 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.17 -70.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.85 -38.16 54.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.97 -45.95 84.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 75.3 112.471 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.56 -31.67 62.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 70.04 110.865 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -57.56 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.12 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -64.97 -43.08 93.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 72.35 110.905 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -54.51 -29.98 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.32 82.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.03 111.105 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.49 -33.88 55.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 51.5 112.503 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.426 ' HA ' HD12 ' A' ' 29' ' ' LEU . 86.6 t -57.54 -43.47 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 74.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.32 -45.29 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -65.1 -35.93 82.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.33 110.912 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 26' ' ' VAL . 12.5 mt -65.76 -26.65 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 -34.48 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.05 111.112 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -90.24 -27.89 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.22 88.57 0.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 54.23 112.464 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.23 -19.8 0.73 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 64.32 112.494 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.94 46.05 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 53.01 110.837 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 41.42 112.484 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.892 0.377 . . . . 72.05 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.654 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 8.5 t80 57.0 30.39 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.904 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 41.62 99.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 53.45 112.461 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 53.82 71.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 71.01 110.918 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.81 158.18 20.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 65.12 112.443 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.2 m -76.72 -20.88 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 62.41 111.161 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -74.6 123.69 25.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -77.26 173.1 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.88 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -67.5 -17.99 64.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 72.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -55.06 -57.04 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 62.44 110.911 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -61.87 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 51.41 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.92 103.49 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 70.13 112.46 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -65.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.01 110.874 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -32.48 72.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.873 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.7 t -65.37 -35.23 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 60.44 111.113 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -76.61 -70.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 72.23 110.926 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -51.88 -44.72 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 64.41 110.973 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -59.74 8.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.543 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.41 73.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 74.51 110.873 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' CD1' ' A' ' 3' ' ' TYR . . . -53.82 -55.96 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.33 111.085 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -67.47 -26.22 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.827 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -61.8 -29.82 70.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.852 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.73 72.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -39.1 13.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 54.22 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -54.82 -43.12 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 75.44 111.125 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.67 -46.22 87.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.23 110.916 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -61.32 -49.0 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.887 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.67 -26.25 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.93 -25.59 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.12 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -84.31 -26.14 28.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 61.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.66 78.74 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.723 -0.751 . . . . 51.34 112.457 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.79 30.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 42.52 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 33.34 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 73.05 110.897 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 70.03 112.484 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.911 0.386 . . . . 73.32 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 50.88 30.54 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.12 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.67 105.02 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 72.04 112.462 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -78.68 101.5 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 72.1 110.897 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.689 ' O ' HG23 ' A' ' 10' ' ' THR . . . -120.35 152.08 17.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 75.53 112.526 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.71 -22.87 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 75.24 111.126 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -76.64 -30.25 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.888 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -33.23 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 65.55 110.843 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 6' ' ' GLY . 26.5 p -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 73.52 111.126 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -55.1 -71.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 53.52 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -69.41 -57.62 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.58 113.74 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 62.54 112.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.1 t -69.38 -68.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 63.02 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -72.28 -25.75 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 64.32 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.59 -26.78 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 64.31 111.121 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -76.67 -43.88 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.843 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -63.36 -60.89 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.94 -37.33 44.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 63.1 112.466 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -70.27 -33.03 71.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 74.54 110.87 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -59.62 3.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 13.1 111.09 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -59.0 -26.19 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.865 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -59.02 -37.55 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.887 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.44 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.14 111.109 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.69 -44.12 7.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 61.35 112.483 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.77 -42.7 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 75.25 111.154 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -64.65 -39.06 93.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.854 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -67.9 -37.37 81.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.11 -26.07 64.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.43 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.24 111.113 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.91 -28.56 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 71.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.74 81.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 72.31 112.469 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.0 141.49 3.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 73.34 112.474 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.71 73.68 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 64.01 110.89 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 75.2 112.478 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.92 0.39 . . . . 75.21 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -92.29 37.98 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 43.43 110.96 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.84 -36.56 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 45.3 112.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -79.48 100.84 7.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 65.23 110.847 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.38 55.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 73.52 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 10' ' ' THR . 28.6 m -72.3 -34.89 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 54.42 111.161 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -82.39 -20.12 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 m -69.83 -18.13 63.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.847 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 7' ' ' VAL . 14.0 t -59.6 -24.0 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.03 111.144 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -55.22 -61.72 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 63.15 110.913 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 t -69.34 -41.39 76.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 52.54 110.825 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.58 106.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 74.03 112.52 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -62.35 -51.22 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 70.2 110.896 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -68.5 -36.63 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 65.24 110.855 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.5 t -71.55 -24.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.107 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -70.12 -57.29 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.79 -57.99 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.929 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.14 -42.57 55.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 73.24 112.492 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -60.52 -29.72 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 62.44 110.879 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -59.44 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.134 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -61.76 -33.89 74.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.34 110.875 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -54.92 -29.94 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 70.13 110.887 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.67 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 42.3 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.22 -34.1 21.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 52.13 112.472 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.1 t -54.73 -28.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 55.44 111.114 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -64.66 -33.92 77.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 42.22 110.846 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.64 -56.39 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.87 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.73 -26.07 67.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.911 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.22 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.22 111.126 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -91.71 -26.61 18.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.29 -111.0 1.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 64.04 112.526 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.49 32.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 64.31 112.547 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -145.6 104.93 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 74.53 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.753 . . . . 62.53 112.465 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.909 0.385 . . . . 74.12 110.929 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -92.23 38.15 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 72.22 110.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.0 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.485 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -79.17 99.99 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 72.32 110.92 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.11 99.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 74.23 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.34 -25.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 74.33 111.101 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.25 172.55 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.858 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.62 110.4 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.8 p -67.35 -26.44 66.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 50.12 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -27.52 63.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 62.21 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -63.75 -30.05 71.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.895 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.08 103.4 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 72.23 112.432 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.77 -35.6 77.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 53.42 110.858 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t -68.59 -47.26 67.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.791 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -71.57 -31.56 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.24 111.134 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.45 -73.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.883 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.413 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 8.2 m95 -58.28 -39.43 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.23 -50.45 46.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 52.12 112.507 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -29.91 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 73.34 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 18' ' ' TRP . . . -67.63 -59.54 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.11 111.109 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 26' ' ' VAL . 72.9 m-85 -64.72 -28.89 69.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.0 t -60.32 -44.87 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 62.42 110.845 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.91 63.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.72 -39.68 7.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 70.11 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 22' ' ' PHE . 47.9 t -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 72.44 111.095 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 t-80 -56.91 -24.45 52.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.819 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -47.78 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 62.12 110.866 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -25.16 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -53.46 -49.69 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 60.3 111.09 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.19 -29.28 16.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 74.32 110.833 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.27 90.09 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 75.42 112.46 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.12 18.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 45.24 112.501 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.64 49.46 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 63.01 110.884 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 65.42 112.459 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.865 0.364 . . . . 74.55 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -82.05 131.15 35.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 75.23 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 -23.98 34.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 51.12 112.526 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -87.23 84.67 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 70.1 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 81.69 1.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 64.15 112.447 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.83 -35.19 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 73.05 111.098 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -79.35 -76.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.852 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.03 118.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.43 110.863 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -67.89 -45.63 73.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 61.34 111.118 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -63.3 -37.45 87.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 74.24 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 t -61.7 -22.65 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.817 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.85 86.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 64.3 112.462 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -61.76 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 51.24 110.866 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 m -68.23 -29.93 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 41.42 110.854 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 55.13 111.107 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.51 -43.98 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 65.32 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -63.09 -60.38 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 71.12 110.941 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.36 -44.22 58.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 73.41 112.484 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.43 -45.87 92.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.34 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.74 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.2 111.078 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 26' ' ' VAL . 56.1 m-85 -64.96 -26.46 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.894 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -41.71 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.88 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.0 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 65.31 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.12 64.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 52.34 112.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' PHE . 77.9 t -57.86 -43.51 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 75.14 111.146 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.83 -24.56 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.852 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -63.59 -47.73 80.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.87 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -24.93 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.03 -25.99 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.08 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -90.96 -29.36 17.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.72 55.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 44.03 112.443 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 -142.6 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 73.33 112.537 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -94.99 -52.64 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 74.3 110.932 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 75.53 112.459 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.888 0.375 . . . . 71.41 110.929 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.9 t80 62.96 26.46 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.916 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.11 79.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 74.1 112.5 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.5 -27.36 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 75.44 110.892 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.01 19.4 14.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 71.32 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.595 HG23 ' H ' ' A' ' 9' ' ' SER . 29.9 m -75.82 -25.18 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 73.23 111.133 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.01 28.72 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.822 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -77.98 58.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 55.23 110.829 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -67.21 -28.01 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 55.41 111.132 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -56.33 -65.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.04 110.858 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -62.49 -27.46 69.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 70.32 110.845 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.64 116.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.469 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -68.34 -67.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 72.32 110.847 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -75.76 -29.7 58.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 61.11 110.86 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.4 t -64.72 -26.35 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -72.18 -55.8 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.858 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -51.87 -38.76 57.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.959 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.21 -36.8 38.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 51.13 112.501 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.65 -27.34 39.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 73.14 110.885 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -58.88 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.25 111.086 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -65.21 -32.78 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.896 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.7 t -52.23 -31.5 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 31.54 110.84 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.63 73.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 52.4 111.103 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.15 -36.0 86.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 72.3 112.507 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.01 -37.56 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 75.35 111.103 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.57 -46.02 84.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.43 -44.6 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.902 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD22 ' OD1' ' A' ' 34' ' ' ASN . 12.6 mt -65.03 -30.49 71.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 65.51 110.874 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -26.0 60.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 63.23 111.11 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -84.43 -27.93 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 70.44 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.16 81.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 74.32 112.503 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.12 -132.78 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 65.41 112.518 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.544 ' OD1' HD22 ' A' ' 29' ' ' LEU . 5.5 p-10 -94.38 -52.54 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 75.14 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 63.33 112.455 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.852 0.358 . . . . 55.42 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -83.81 -25.43 30.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 72.5 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -38.61 0.83 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 73.22 112.446 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 62.02 68.41 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.52 110.887 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 112.46 4.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 62.53 112.486 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.9 -14.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 71.34 111.13 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -74.55 -75.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 70.1 110.835 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -168.9 109.17 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 50.42 110.837 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 p -67.89 -12.57 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 72.01 111.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -58.11 -22.08 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.913 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -61.42 -18.89 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.843 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.5 72.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.727 . . . . 33.44 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -44.93 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 61.14 110.818 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -67.68 -39.99 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 40.4 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.53 -37.16 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -77.0 -74.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -50.73 -44.59 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.962 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.49 -47.38 51.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 64.44 112.484 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -35.35 80.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 71.01 110.857 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 -59.69 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 111.077 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . 22.0 m-85 -61.96 -26.15 68.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -61.87 -34.3 75.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 70.33 110.858 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.32 -31.56 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 75.01 111.12 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.49 -34.75 6.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 60.22 112.478 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.3 t -55.02 -37.93 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 62.22 111.143 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 7.2 t-160 -63.41 -47.68 80.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.883 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.14 -49.48 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 71.05 110.857 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.73 -25.5 67.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -55.43 -25.75 37.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -83.88 -27.7 28.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.31 84.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 41.14 112.488 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.63 38.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 52.02 112.519 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 60.77 40.52 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 54.33 110.906 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.25 112.483 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.877 0.37 . . . . 70.23 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -84.82 92.43 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.969 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.13 -30.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 65.41 112.491 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -157.5 129.86 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 71.04 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.17 159.33 27.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 72.31 112.476 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.27 -25.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 74.24 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -74.73 148.61 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.922 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m -71.45 141.27 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.2 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.8 p -67.36 -25.17 65.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 74.02 111.19 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -55.38 -44.62 76.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.911 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 m -62.09 -27.17 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 52.02 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.03 114.38 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 63.41 112.535 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -67.32 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 75.15 110.843 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -75.02 -26.82 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 63.22 110.881 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -68.62 -27.81 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 111.107 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.26 -54.74 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.88 -56.65 12.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 65.31 110.889 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.01 -33.83 64.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.522 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.1 -32.74 74.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 72.44 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -59.5 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 52.04 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -62.16 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -52.58 -41.86 64.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.846 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.06 71.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.95 -24.44 64.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 73.22 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -25.09 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 75.3 111.131 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.865 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -72.52 -27.16 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.89 -46.4 90.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.31 25.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 70.3 111.079 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -83.78 -29.26 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -113.24 -81.8 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 70.43 112.478 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.07 -137.61 6.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.529 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -95.19 -74.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 64.05 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.769 . . . . 74.33 112.464 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.929 0.395 . . . . 64.31 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.81 13.57 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.909 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.89 46.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 52.11 112.503 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -87.25 104.12 16.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 74.43 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.78 -50.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 71.33 112.515 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -69.12 -24.73 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 63.24 111.142 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.74 26.49 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.894 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -77.96 59.79 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.839 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -67.8 -29.14 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 75.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -49.34 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 62.25 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 p -70.42 -23.35 62.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.849 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.27 104.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.52 112.497 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -66.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 71.31 110.852 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.44 -33.13 73.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.24 110.895 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.91 -39.4 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 72.43 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.57 -72.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -51.69 -50.86 59.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.04 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.61 54.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 75.13 112.486 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.79 -33.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 63.1 110.912 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.19 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.34 111.136 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.44 -43.49 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.884 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -37.85 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.85 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.85 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.53 111.151 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.59 -38.62 63.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 72.33 112.521 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -59.05 -49.2 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 52.42 111.081 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -63.99 -45.86 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.885 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -60.9 -40.19 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.828 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.3 -30.66 71.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.942 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.69 87.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 61.13 111.12 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -26.53 20.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 53.34 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.06 -88.91 1.04 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 73.24 112.462 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.15 -92.03 1.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 61.1 112.556 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -149.92 105.05 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 73.11 110.924 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.32 112.495 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.869 0.366 . . . . 74.42 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -92.69 -15.1 27.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 75.54 110.934 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.92 -10.65 59.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 74.23 112.495 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.4 140.6 22.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 43.21 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.57 106.03 0.5 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 63.11 112.483 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.4 t -76.76 -24.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.344 . . . . 33.2 111.1 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.63 165.93 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 54.14 110.918 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -73.24 95.57 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.878 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 p -67.33 -19.65 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 62.15 111.181 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -54.97 -56.36 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 54.3 110.939 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -61.85 -58.35 8.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' HA3' HG12 ' A' ' 16' ' ' VAL . . . -144.91 88.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 72.21 112.493 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -69.87 -46.7 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 62.13 110.852 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 44.42 110.863 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.464 HG12 ' HA3' ' A' ' 13' ' ' GLY . 6.0 p -63.8 -24.23 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -67.88 -46.37 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.878 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -60.33 -61.71 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 62.53 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.13 -51.87 38.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 54.03 112.471 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.22 -48.25 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 71.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.71 -59.6 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.52 111.047 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.45 -37.26 80.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -58.82 -28.75 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -31.66 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 63.11 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -24.27 53.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 54.14 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.86 -36.33 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 70.53 111.13 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -63.71 -43.8 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 63.22 110.835 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -64.84 -42.23 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.828 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.71 -40.42 88.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.26 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.11 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -88.53 -27.65 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 61.52 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.14 82.35 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 44.35 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.57 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 70.12 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -144.62 87.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 73.15 110.919 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 71.41 112.482 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.928 0.394 . . . . 75.12 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 p90 38.64 42.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 72.12 110.924 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.06 -38.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 74.22 112.495 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -80.8 71.71 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 74.43 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.48 121.31 5.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.721 -0.752 . . . . 74.13 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.57 -43.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 71.42 111.126 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -79.51 168.32 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -76.6 141.77 40.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 41.52 110.853 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 p -67.15 -25.22 66.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.43 111.145 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -55.31 -49.39 72.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.898 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -62.94 -28.49 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.16 103.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 50.2 112.465 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -65.15 -65.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.05 110.885 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -69.97 -30.63 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.66 -26.17 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -73.52 -54.01 9.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.884 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.82 -43.05 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 63.21 110.954 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.42 -34.08 68.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.506 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -58.62 -34.3 71.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 65.11 110.916 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -55.09 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 62.41 111.068 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 57.9 m-85 -68.88 -41.9 77.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -54.79 -29.28 54.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.822 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.49 94.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 71.42 111.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.53 -34.2 54.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 43.02 112.528 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 22' ' ' PHE . 70.4 t -55.15 -37.12 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 71.45 111.13 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -62.78 -48.06 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.856 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.58 -46.78 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.855 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 34' ' ' ASN . 6.1 mt -65.03 -26.67 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.919 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.5 -28.87 48.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 52.4 111.109 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.65 -29.08 25.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.886 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.52 101.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 53.34 112.465 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 -128.14 1.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 72.32 112.458 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' H ' HD22 ' A' ' 29' ' ' LEU . 23.8 m-80 -94.67 -51.09 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 73.43 110.913 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 54.12 112.447 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.909 0.385 . . . . 63.42 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -93.04 18.68 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.75 12.15 80.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.441 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 41.46 39.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 64.55 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -128.49 95.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 74.13 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.1 m -76.22 -25.3 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 61.43 111.085 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -74.87 -170.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.826 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 t 63.99 27.44 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.0 p -65.67 -25.22 67.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 61.53 111.127 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.86 -42.86 76.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.903 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 t -62.21 -26.5 68.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 43.2 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.31 129.33 1.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.4 t -68.95 -67.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 51.42 110.887 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.76 -26.46 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 42.2 110.849 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.95 -28.67 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.34 111.163 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -70.94 -48.7 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -58.66 -40.82 84.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 51.33 110.919 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.02 25.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 74.31 112.465 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.46 -27.71 39.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 73.41 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -59.38 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 51.2 111.124 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.665 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.3 m-85 -68.07 -27.86 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.861 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -60.38 -40.33 90.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.15 85.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.12 111.064 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -32.44 74.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 63.31 112.438 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 22' ' ' PHE . 72.8 t -57.11 -41.6 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 55.33 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -62.5 -41.87 99.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -67.7 -44.05 78.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.2 110.844 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.15 -32.32 72.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.943 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -25.9 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 55.24 111.088 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -84.57 -26.48 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 72.52 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.22 82.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 55.51 112.465 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.1 -120.37 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 72.22 112.484 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.76 -73.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 73.13 110.862 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 63.32 112.482 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.892 0.377 . . . . 60.3 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -146.06 106.12 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.921 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.13 -33.04 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 63.12 112.487 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.37 103.19 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 63.04 110.946 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.95 17.33 55.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 64.13 112.512 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -76.6 -24.79 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 72.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -78.24 -7.18 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 61.12 110.868 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.7 54.33 10.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.868 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -68.49 -10.83 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 53.32 111.128 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.33 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.895 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -61.71 -25.73 67.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 64.11 110.869 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.85 -23.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.2 112.49 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -16.15 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 53.14 110.844 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -69.51 -41.27 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.11 110.874 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.44 -26.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.12 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.37 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 54.33 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -60.64 -43.73 97.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.923 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.21 -33.05 37.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 51.02 112.473 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -39.37 63.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.368 . . . . 71.31 110.887 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -56.93 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 63.44 111.078 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -55.23 -27.36 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 62.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -53.91 -37.73 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 62.11 111.073 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.77 64.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 74.42 112.519 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.84 -48.0 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 65.35 111.131 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -63.99 -23.4 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.865 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.43 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.852 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -26.12 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.89 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -45.76 70.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 64.34 111.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -91.91 -26.63 18.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.18 -93.06 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.11 112.467 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.58 139.16 2.68 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 70.41 112.464 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.99 68.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 75.2 110.912 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 71.3 112.498 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.86 0.362 . . . . 75.44 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -81.97 3.62 25.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.936 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.93 78.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.32 112.513 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.423 ' H ' ' ND2' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -78.19 58.93 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 72.01 110.875 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 124.1 6.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 42.35 112.533 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -69.02 -14.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 73.3 111.123 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.87 156.26 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.24 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t 65.59 14.62 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 61.22 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 p -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 61.4 111.132 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -47.02 75.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 63.54 110.924 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -61.8 -17.93 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.836 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.49 123.86 1.71 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 74.04 112.506 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -58.25 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 71.12 110.856 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -76.19 -30.04 57.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 62.53 110.865 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG12 ' HG3' ' A' ' 20' ' ' GLU . 21.9 t -71.96 -24.1 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.16 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.73 -42.77 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.84 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.54 -55.72 24.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.43 86.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 33.53 112.54 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' HG3' HG12 ' A' ' 16' ' ' VAL . 30.1 mm-40 -60.86 -41.78 96.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 71.1 110.924 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -59.62 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 55.34 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -59.82 -24.58 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 75.14 110.917 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -57.48 -20.0 28.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.824 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.64 -10.54 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 42.55 111.125 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.65 -28.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 62.35 112.462 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 23' ' ' SER . 11.5 m -53.18 -33.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 53.04 111.161 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -34.36 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.878 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -68.63 -58.47 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.843 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.8 -25.6 67.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.95 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.35 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.112 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -86.46 -29.17 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 42.13 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.2 -112.16 1.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.492 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.43 28.52 0.24 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.709 -0.758 . . . . 42.31 112.469 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.33 25.27 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 53.33 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 74.41 112.477 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.905 0.383 . . . . 75.35 110.936 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -79.56 -7.11 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.932 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.19 -24.76 60.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 75.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 t30 64.36 14.0 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 70.12 110.915 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 50.02 -169.6 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 55.14 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.9 t -79.01 -24.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 64.15 111.154 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -74.13 155.79 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -78.6 57.44 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.896 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -7.25 45.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 64.12 111.134 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -19.91 7.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.874 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -56.83 -22.47 36.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 75.15 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.745 . . . . 72.51 112.505 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 p -71.68 -33.6 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 73.33 110.836 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 m -66.73 -37.42 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.93 -40.66 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 63.35 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -82.15 -77.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -64.27 -53.97 40.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.87 -32.65 4.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.524 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -42.15 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 63.04 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -59.55 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.51 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 70.1 m-85 -50.88 -31.37 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -52.05 -32.41 34.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.35 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.32 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 62.44 111.139 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.9 -33.12 6.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 72.13 112.486 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 22' ' ' PHE . 90.1 t -55.71 -39.98 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 71.02 111.136 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.9 -44.67 96.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 62.42 110.82 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.45 -43.02 77.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 64.32 110.847 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.539 HD22 ' O ' ' A' ' 33' ' ' GLY . 11.6 mt -65.49 -26.79 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 65.05 110.931 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -25.34 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 73.22 111.096 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -84.02 -26.66 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.3 103.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 60.51 112.441 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.539 ' O ' HD22 ' A' ' 29' ' ' LEU . . . 151.89 41.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 62.35 112.497 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m120 60.88 36.5 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 71.12 110.916 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 51.23 112.46 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.705 ' N ' HD22 ' A' ' 5' ' ' ASN . 96.6 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.95 0.405 . . . . 61.32 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -82.21 111.78 18.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 43.01 110.959 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.62 24.26 3.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 71.12 112.495 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.705 HD22 ' N ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -158.96 143.05 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 74.51 110.892 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.95 99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 52.31 112.504 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 10' ' ' THR . 34.6 m -76.65 -32.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 73.21 111.088 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -82.38 -29.34 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 63.51 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.33 -35.02 55.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.22 110.835 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 7' ' ' VAL . 8.8 t -67.43 -20.24 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 33.44 111.115 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -64.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.871 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -69.39 -38.83 78.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.27 102.34 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 51.11 112.504 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -57.64 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 62.54 110.921 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -68.6 -31.48 70.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.847 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.69 -32.11 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 61.22 111.163 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.6 -74.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.3 110.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -54.06 -39.11 65.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.27 -42.26 55.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 74.53 112.456 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.91 69.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 75.1 110.871 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -59.54 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 26' ' ' VAL . 45.1 m-85 -54.24 -29.35 46.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 63.13 110.933 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -61.82 -37.33 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.875 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.31 111.112 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.83 41.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 65.31 112.448 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 22' ' ' PHE . 89.6 t -65.68 -49.51 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 64.45 111.092 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 48.6 t-80 -57.01 -24.4 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.835 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.87 -47.44 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.17 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 50.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -56.74 -47.88 79.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.53 111.091 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -92.06 -29.26 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.848 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.61 69.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 71.52 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.48 -142.28 4.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 62.23 112.51 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.98 78.76 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 75.33 110.902 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 74.15 112.475 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.956 0.408 . . . . 74.11 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -146.95 -49.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 71.12 110.91 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.85 61.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 65.11 112.507 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -87.54 -166.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 70.41 110.882 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.0 -54.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 65.21 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -69.44 -23.21 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 72.02 111.136 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -79.49 -173.94 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.79 167.91 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 62.32 110.859 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -24.28 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.15 111.186 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -55.37 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.911 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.7 t -63.73 -26.63 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 113.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 53.02 112.484 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -62.24 -62.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 72.24 110.84 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 53.25 110.885 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.33 -25.24 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.33 111.14 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -69.84 -53.23 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.87 -45.18 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 73.54 110.914 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.79 -29.91 62.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 73.23 112.465 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -35.58 73.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 71.34 110.87 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -58.34 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.067 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.6 m-85 -66.0 -30.26 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.845 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -60.1 -34.02 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 60.2 110.855 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.45 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 53.22 111.099 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.37 -39.12 57.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.737 . . . . 72.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 22' ' ' PHE . 58.0 t -55.7 -37.39 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 75.13 111.141 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -64.18 -46.01 85.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 70.22 110.812 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.99 -38.5 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 26' ' ' VAL . 10.0 mt -66.47 -43.33 85.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.937 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.27 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.101 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -85.1 -27.63 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.85 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.82 85.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 63.01 112.522 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.24 -118.2 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 55.23 112.532 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -146.71 101.32 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 55.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 72.43 112.504 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 tptt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.787 0.327 . . . . 64.2 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -157.62 144.58 18.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 70.23 110.946 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.16 54.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 74.32 110.901 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 -45.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 73.42 112.455 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.41 98.66 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 64.15 110.935 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.29 127.68 8.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 54.25 112.502 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.33 -42.87 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 74.33 111.077 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -77.63 166.72 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.24 110.814 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -71.26 118.01 13.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.894 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -60.39 -25.16 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.155 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -48.93 73.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -67.73 -57.35 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.838 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.87 83.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 64.14 112.524 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -67.67 -56.11 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 62.22 110.86 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -71.48 -33.33 69.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 72.04 110.841 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -71.04 -25.45 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -70.31 -51.89 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 41.02 110.881 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.78 -53.79 35.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.988 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.26 -43.04 99.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 74.3 112.487 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.47 -40.18 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 73.01 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.73 -58.3 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 53.54 111.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.22 -45.91 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 t -54.43 -36.87 64.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.39 93.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 53.42 111.132 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -66.15 -29.41 74.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 75.21 112.491 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 35' ' ' GLY . 93.7 t -55.11 -30.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 75.12 111.136 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -62.36 -35.24 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.817 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -67.46 -51.17 54.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 25' ' ' GLY . 3.3 mp -68.75 -25.75 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.58 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 41.44 111.099 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -83.82 -25.95 29.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.89 76.41 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.38 -130.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 71.4 112.485 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -95.2 -49.89 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 75.32 110.843 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 26' ' ' VAL . . . 74.87 -82.4 0.85 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 50.51 112.487 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -146.34 26.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 64.44 110.876 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.872 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.8 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.836 0.351 . . . . 74.45 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -163.64 130.58 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.927 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 62.44 48.8 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 75.21 110.893 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.24 -65.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 71.22 112.465 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -87.06 103.26 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 75.41 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.43 116.47 5.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 71.23 112.465 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.49 -51.52 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 63.15 111.105 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -82.29 -75.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.856 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t -168.66 121.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 41.21 110.871 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 t -67.43 -24.84 65.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 71.4 111.154 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -55.33 -44.11 75.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -67.45 -33.83 75.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.83 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.6 103.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 65.24 112.491 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.92 97.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.14 110.832 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -68.51 -39.48 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 53.55 110.855 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.9 -24.25 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 65.01 111.11 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -69.17 -43.32 74.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.897 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -62.54 -59.9 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.0 110.962 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.41 -24.21 37.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 74.45 112.547 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -43.31 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 71.15 110.924 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -59.5 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 61.33 111.139 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.8 m-85 -53.88 -32.37 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 60.12 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.49 -32.58 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.845 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.23 39.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 45.33 111.148 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.47 -34.52 42.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.483 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 22' ' ' PHE . 62.0 t -59.41 -43.78 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 72.22 111.159 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -61.84 -44.42 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.5 110.851 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -63.98 -32.7 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.61 -30.83 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 74.55 110.938 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.5 68.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 64.51 111.08 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.67 -26.67 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.3 110.929 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.38 78.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 54.41 112.477 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.14 -108.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 55.54 112.487 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -151.71 107.53 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 74.31 110.859 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.8 -113.85 1.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 75.32 112.495 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.99 28.43 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 74.53 110.923 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.6 m0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.494 . . . . 63.12 110.901 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 pttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.771 0.319 . . . . 75.44 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -160.26 132.24 6.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 70.22 110.889 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 t80 62.04 52.17 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 64.25 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.0 -38.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 65.04 112.499 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -85.0 101.4 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 74.35 110.894 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.45 115.51 1.46 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.485 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.66 -30.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 74.14 111.145 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -76.97 163.72 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.839 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.44 122.12 22.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.843 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -66.27 -30.25 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 75.34 111.163 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -57.11 -40.16 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 45.24 110.881 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m -64.68 -28.31 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 65.54 110.902 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.63 102.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 74.15 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -62.94 -43.2 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 75.22 110.833 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -68.72 -38.74 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 52.42 110.872 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.57 -27.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.42 111.13 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.17 -70.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.85 -38.16 54.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.97 -45.95 84.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 75.3 112.471 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.56 -31.67 62.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 70.04 110.865 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -57.56 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.12 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -64.97 -43.08 93.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 72.35 110.905 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -54.51 -29.98 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.32 82.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.03 111.105 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.49 -33.88 55.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 51.5 112.503 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.426 ' HA ' HD12 ' A' ' 29' ' ' LEU . 86.6 t -57.54 -43.47 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 74.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.32 -45.29 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -65.1 -35.93 82.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.33 110.912 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 26' ' ' VAL . 12.5 mt -65.76 -26.65 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 -34.48 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.05 111.112 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -90.24 -27.89 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.22 88.57 0.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 54.23 112.464 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.23 -19.8 0.73 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 64.32 112.494 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.94 46.05 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 53.01 110.837 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.06 86.37 1.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 41.42 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -100.11 -28.65 12.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 74.24 110.826 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 m0 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 72.2 110.951 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.776 0.322 . . . . 71.4 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -156.7 130.21 8.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 72.05 110.942 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.654 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 8.5 t80 57.0 30.39 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.904 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 41.62 99.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 53.45 112.461 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 53.82 71.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 71.01 110.918 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.81 158.18 20.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 65.12 112.443 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.2 m -76.72 -20.88 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 62.41 111.161 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -74.6 123.69 25.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -77.26 173.1 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.88 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -67.5 -17.99 64.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 72.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -55.06 -57.04 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 62.44 110.911 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -61.87 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 51.41 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.92 103.49 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 70.13 112.46 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -65.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.01 110.874 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -32.48 72.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.873 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.7 t -65.37 -35.23 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 60.44 111.113 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -76.61 -70.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 72.23 110.926 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -51.88 -44.72 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 64.41 110.973 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -59.74 8.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.543 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.41 73.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 74.51 110.873 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' CD1' ' A' ' 3' ' ' TYR . . . -53.82 -55.96 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.33 111.085 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -67.47 -26.22 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.827 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -61.8 -29.82 70.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.852 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.73 72.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -39.1 13.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 54.22 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -54.82 -43.12 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 75.44 111.125 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.67 -46.22 87.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.23 110.916 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -61.32 -49.0 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.887 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.67 -26.25 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.93 -25.59 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.12 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -84.31 -26.14 28.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 61.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.66 78.74 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.723 -0.751 . . . . 51.34 112.457 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.79 30.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 42.52 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 33.34 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 73.05 110.897 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.62 -94.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 70.03 112.484 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -99.87 26.35 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 74.41 110.858 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 m95 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.964 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.83 0.347 . . . . 71.04 110.919 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -81.88 124.9 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.905 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 50.88 30.54 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.12 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.67 105.02 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 72.04 112.462 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -78.68 101.5 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 72.1 110.897 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.689 ' O ' HG23 ' A' ' 10' ' ' THR . . . -120.35 152.08 17.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 75.53 112.526 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.71 -22.87 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 75.24 111.126 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -76.64 -30.25 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.888 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -33.23 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 65.55 110.843 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 6' ' ' GLY . 26.5 p -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 73.52 111.126 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -55.1 -71.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 53.52 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -69.41 -57.62 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.58 113.74 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 62.54 112.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.1 t -69.38 -68.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 63.02 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -72.28 -25.75 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 64.32 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.59 -26.78 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 64.31 111.121 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -76.67 -43.88 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.843 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -63.36 -60.89 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.94 -37.33 44.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 63.1 112.466 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -70.27 -33.03 71.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 74.54 110.87 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -59.62 3.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 13.1 111.09 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -59.0 -26.19 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.865 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -59.02 -37.55 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.887 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.44 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.14 111.109 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.69 -44.12 7.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 61.35 112.483 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.77 -42.7 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 75.25 111.154 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -64.65 -39.06 93.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.854 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -67.9 -37.37 81.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.11 -26.07 64.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.43 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.24 111.113 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.91 -28.56 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 71.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.74 81.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 72.31 112.469 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.0 141.49 3.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 73.34 112.474 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.71 73.68 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 64.01 110.89 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.68 65.56 4.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 75.2 112.478 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -100.56 -26.35 13.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 70.15 110.845 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 m0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.931 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.5 mttm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.817 0.341 . . . . 73.44 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -158.3 -179.34 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.881 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -92.29 37.98 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 43.43 110.96 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.84 -36.56 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 45.3 112.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -79.48 100.84 7.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 65.23 110.847 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.38 55.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 73.52 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 10' ' ' THR . 28.6 m -72.3 -34.89 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 54.42 111.161 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -82.39 -20.12 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 m -69.83 -18.13 63.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.847 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 7' ' ' VAL . 14.0 t -59.6 -24.0 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.03 111.144 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -55.22 -61.72 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 63.15 110.913 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 t -69.34 -41.39 76.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 52.54 110.825 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.58 106.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 74.03 112.52 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -62.35 -51.22 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 70.2 110.896 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -68.5 -36.63 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 65.24 110.855 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.5 t -71.55 -24.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.107 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -70.12 -57.29 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.79 -57.99 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.929 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.14 -42.57 55.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 73.24 112.492 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -60.52 -29.72 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 62.44 110.879 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -59.44 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.134 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -61.76 -33.89 74.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.34 110.875 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -54.92 -29.94 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 70.13 110.887 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.67 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 42.3 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.22 -34.1 21.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 52.13 112.472 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.1 t -54.73 -28.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 55.44 111.114 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -64.66 -33.92 77.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 42.22 110.846 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.64 -56.39 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.87 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.73 -26.07 67.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.911 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.22 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.22 111.126 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -91.71 -26.61 18.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.29 -111.0 1.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 64.04 112.526 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.49 32.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 64.31 112.547 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -145.6 104.93 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 74.53 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.67 19.81 2.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.753 . . . . 62.53 112.465 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -100.49 -27.11 13.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 75.24 110.881 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 m0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.914 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.85 0.357 . . . . 74.42 110.88 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -163.58 -179.93 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.929 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -92.23 38.15 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 72.22 110.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.0 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.485 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -79.17 99.99 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 72.32 110.92 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.11 99.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 74.23 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.34 -25.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 74.33 111.101 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.25 172.55 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.858 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.62 110.4 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.8 p -67.35 -26.44 66.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 50.12 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -27.52 63.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 62.21 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -63.75 -30.05 71.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.895 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.08 103.4 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 72.23 112.432 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.77 -35.6 77.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 53.42 110.858 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t -68.59 -47.26 67.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.791 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -71.57 -31.56 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.24 111.134 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.45 -73.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.883 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.413 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 8.2 m95 -58.28 -39.43 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.23 -50.45 46.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 52.12 112.507 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -29.91 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 73.34 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 18' ' ' TRP . . . -67.63 -59.54 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.11 111.109 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 26' ' ' VAL . 72.9 m-85 -64.72 -28.89 69.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.0 t -60.32 -44.87 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 62.42 110.845 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.91 63.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.72 -39.68 7.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 70.11 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 22' ' ' PHE . 47.9 t -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 72.44 111.095 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 t-80 -56.91 -24.45 52.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.819 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -47.78 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 62.12 110.866 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -25.16 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -53.46 -49.69 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 60.3 111.09 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.19 -29.28 16.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 74.32 110.833 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.27 90.09 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 75.42 112.46 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.12 18.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 45.24 112.501 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.64 49.46 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 63.01 110.884 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -107.9 27.79 13.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 65.42 112.459 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -104.31 -15.2 15.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 73.24 110.857 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 63.43 110.929 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 75.54 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.82 -169.07 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.55 110.926 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -82.05 131.15 35.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 75.23 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 -23.98 34.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 51.12 112.526 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -87.23 84.67 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 70.1 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 81.69 1.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 64.15 112.447 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.83 -35.19 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 73.05 111.098 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -79.35 -76.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.852 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.03 118.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.43 110.863 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -67.89 -45.63 73.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 61.34 111.118 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -63.3 -37.45 87.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 74.24 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 t -61.7 -22.65 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.817 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.85 86.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 64.3 112.462 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -61.76 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 51.24 110.866 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 m -68.23 -29.93 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 41.42 110.854 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 55.13 111.107 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.51 -43.98 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 65.32 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -63.09 -60.38 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 71.12 110.941 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.36 -44.22 58.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 73.41 112.484 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.43 -45.87 92.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.34 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.74 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.2 111.078 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 26' ' ' VAL . 56.1 m-85 -64.96 -26.46 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.894 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -41.71 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.88 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.0 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 65.31 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.12 64.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 52.34 112.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' PHE . 77.9 t -57.86 -43.51 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 75.14 111.146 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.83 -24.56 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.852 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -63.59 -47.73 80.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.87 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -24.93 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.03 -25.99 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.08 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -90.96 -29.36 17.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.72 55.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 44.03 112.443 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 -142.6 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 73.33 112.537 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -94.99 -52.64 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 74.3 110.932 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.22 62.04 6.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 75.53 112.459 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -104.32 24.98 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 75.34 110.847 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.929 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 72.21 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -157.43 131.36 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 71.41 110.929 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.9 t80 62.96 26.46 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.916 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.11 79.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 74.1 112.5 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.5 -27.36 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 75.44 110.892 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.01 19.4 14.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 71.32 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.595 HG23 ' H ' ' A' ' 9' ' ' SER . 29.9 m -75.82 -25.18 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 73.23 111.133 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.01 28.72 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.822 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -77.98 58.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 55.23 110.829 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -67.21 -28.01 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 55.41 111.132 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -56.33 -65.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.04 110.858 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -62.49 -27.46 69.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 70.32 110.845 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.64 116.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.469 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -68.34 -67.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 72.32 110.847 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -75.76 -29.7 58.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 61.11 110.86 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.4 t -64.72 -26.35 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -72.18 -55.8 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.858 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -51.87 -38.76 57.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.959 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.21 -36.8 38.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 51.13 112.501 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.65 -27.34 39.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 73.14 110.885 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -58.88 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.25 111.086 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -65.21 -32.78 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.896 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.7 t -52.23 -31.5 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 31.54 110.84 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.63 73.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 52.4 111.103 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.15 -36.0 86.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 72.3 112.507 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.01 -37.56 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 75.35 111.103 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.57 -46.02 84.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.43 -44.6 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.902 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD22 ' OD1' ' A' ' 34' ' ' ASN . 12.6 mt -65.03 -30.49 71.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 65.51 110.874 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -26.0 60.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 63.23 111.11 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -84.43 -27.93 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 70.44 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.16 81.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 74.32 112.503 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.12 -132.78 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 65.41 112.518 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.544 ' OD1' HD22 ' A' ' 29' ' ' LEU . 5.5 p-10 -94.38 -52.54 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 75.14 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.05 24.03 41.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 63.33 112.455 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -100.32 -27.07 13.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 65.51 110.881 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.961 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.738 0.304 . . . . 74.24 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -78.91 -169.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 55.42 110.942 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -83.81 -25.43 30.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 72.5 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -38.61 0.83 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 73.22 112.446 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 62.02 68.41 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.52 110.887 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 112.46 4.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 62.53 112.486 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.9 -14.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 71.34 111.13 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -74.55 -75.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 70.1 110.835 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -168.9 109.17 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 50.42 110.837 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 p -67.89 -12.57 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 72.01 111.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -58.11 -22.08 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.913 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -61.42 -18.89 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.843 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.5 72.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.727 . . . . 33.44 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -44.93 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 61.14 110.818 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -67.68 -39.99 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 40.4 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.53 -37.16 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -77.0 -74.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -50.73 -44.59 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.962 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.49 -47.38 51.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 64.44 112.484 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -35.35 80.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 71.01 110.857 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 -59.69 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 111.077 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . 22.0 m-85 -61.96 -26.15 68.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -61.87 -34.3 75.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 70.33 110.858 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.32 -31.56 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 75.01 111.12 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.49 -34.75 6.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 60.22 112.478 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.3 t -55.02 -37.93 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 62.22 111.143 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 7.2 t-160 -63.41 -47.68 80.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.883 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.14 -49.48 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 71.05 110.857 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.73 -25.5 67.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -55.43 -25.75 37.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -83.88 -27.7 28.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.31 84.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 41.14 112.488 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.63 38.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 52.02 112.519 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 60.77 40.52 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 54.33 110.906 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.2 -64.97 1.61 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.25 112.483 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -144.36 -57.96 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 71.45 110.915 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.925 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.827 0.346 . . . . 63.23 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -76.01 -170.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 70.23 110.923 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -84.82 92.43 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.969 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.13 -30.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 65.41 112.491 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -157.5 129.86 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 71.04 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.17 159.33 27.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 72.31 112.476 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.27 -25.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 74.24 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -74.73 148.61 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.922 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m -71.45 141.27 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.2 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.8 p -67.36 -25.17 65.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 74.02 111.19 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -55.38 -44.62 76.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.911 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 m -62.09 -27.17 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 52.02 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.03 114.38 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 63.41 112.535 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -67.32 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 75.15 110.843 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -75.02 -26.82 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 63.22 110.881 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -68.62 -27.81 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 111.107 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.26 -54.74 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.88 -56.65 12.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 65.31 110.889 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.01 -33.83 64.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.522 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.1 -32.74 74.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 72.44 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -59.5 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 52.04 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -62.16 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -52.58 -41.86 64.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.846 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.06 71.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.95 -24.44 64.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 73.22 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -25.09 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 75.3 111.131 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.865 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -72.52 -27.16 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.89 -46.4 90.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.31 25.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 70.3 111.079 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -83.78 -29.26 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -113.24 -81.8 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 70.43 112.478 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.07 -137.61 6.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.529 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -95.19 -74.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 64.05 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.18 22.3 13.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.769 . . . . 74.33 112.464 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -107.87 -73.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 74.11 110.874 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.3 m95 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.92 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.338 . . . . 73.02 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -81.66 164.72 21.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.884 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.81 13.57 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.909 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.89 46.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 52.11 112.503 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -87.25 104.12 16.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 74.43 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.78 -50.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 71.33 112.515 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -69.12 -24.73 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 63.24 111.142 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.74 26.49 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.894 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -77.96 59.79 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.839 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -67.8 -29.14 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 75.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -49.34 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 62.25 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 p -70.42 -23.35 62.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.849 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.27 104.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.52 112.497 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -66.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 71.31 110.852 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.44 -33.13 73.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.24 110.895 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.91 -39.4 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 72.43 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.57 -72.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -51.69 -50.86 59.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.04 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.61 54.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 75.13 112.486 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.79 -33.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 63.1 110.912 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.19 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.34 111.136 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.44 -43.49 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.884 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -37.85 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.85 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.85 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.53 111.151 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.59 -38.62 63.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 72.33 112.521 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG22 ' HB2' ' A' ' 37' ' ' TRP . 39.4 t -59.05 -49.2 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 52.42 111.081 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -63.99 -45.86 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.885 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -60.9 -40.19 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.828 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.3 -30.66 71.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.942 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.69 87.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 61.13 111.12 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -26.53 20.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 53.34 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.06 -88.91 1.04 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 73.24 112.462 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.15 -92.03 1.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 61.1 112.556 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -149.92 105.05 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 73.11 110.924 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.58 90.63 0.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.32 112.495 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -104.75 1.87 29.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 71.4 110.899 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.606 ' HB2' HG22 ' A' ' 26' ' ' VAL . 14.7 m95 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 71.55 110.914 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.6 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.746 0.308 . . . . 75.54 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -83.42 -80.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.94 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -92.69 -15.1 27.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 75.54 110.934 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.92 -10.65 59.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 74.23 112.495 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.4 140.6 22.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 43.21 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.57 106.03 0.5 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 63.11 112.483 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.4 t -76.76 -24.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.344 . . . . 33.2 111.1 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.63 165.93 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 54.14 110.918 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -73.24 95.57 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.878 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 p -67.33 -19.65 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 62.15 111.181 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -54.97 -56.36 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 54.3 110.939 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -61.85 -58.35 8.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' HA3' HG12 ' A' ' 16' ' ' VAL . . . -144.91 88.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 72.21 112.493 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -69.87 -46.7 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 62.13 110.852 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 44.42 110.863 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.464 HG12 ' HA3' ' A' ' 13' ' ' GLY . 6.0 p -63.8 -24.23 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -67.88 -46.37 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.878 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -60.33 -61.71 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 62.53 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.13 -51.87 38.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 54.03 112.471 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.22 -48.25 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 71.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.71 -59.6 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.52 111.047 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.45 -37.26 80.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -58.82 -28.75 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -31.66 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 63.11 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -24.27 53.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 54.14 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.86 -36.33 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 70.53 111.13 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -63.71 -43.8 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 63.22 110.835 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -64.84 -42.23 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.828 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.71 -40.42 88.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.26 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.11 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -88.53 -27.65 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 61.52 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.14 82.35 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 44.35 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.57 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 70.12 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -144.62 87.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 73.15 110.919 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.85 39.74 1.68 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 71.41 112.482 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.39 -26.56 13.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 61.25 110.874 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.904 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.766 0.317 . . . . 65.03 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -157.09 155.96 31.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.12 110.908 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 p90 38.64 42.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 72.12 110.924 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.06 -38.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 74.22 112.495 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -80.8 71.71 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 74.43 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.48 121.31 5.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.721 -0.752 . . . . 74.13 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.57 -43.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 71.42 111.126 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -79.51 168.32 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -76.6 141.77 40.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 41.52 110.853 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 p -67.15 -25.22 66.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.43 111.145 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -55.31 -49.39 72.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.898 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -62.94 -28.49 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.16 103.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 50.2 112.465 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -65.15 -65.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.05 110.885 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -69.97 -30.63 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.66 -26.17 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -73.52 -54.01 9.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.884 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.82 -43.05 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 63.21 110.954 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.42 -34.08 68.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.506 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -58.62 -34.3 71.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 65.11 110.916 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -55.09 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 62.41 111.068 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 57.9 m-85 -68.88 -41.9 77.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -54.79 -29.28 54.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.822 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.49 94.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 71.42 111.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.53 -34.2 54.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 43.02 112.528 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 22' ' ' PHE . 70.4 t -55.15 -37.12 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 71.45 111.13 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -62.78 -48.06 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.856 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.58 -46.78 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.855 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 34' ' ' ASN . 6.1 mt -65.03 -26.67 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.919 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.5 -28.87 48.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 52.4 111.109 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.65 -29.08 25.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.886 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.52 101.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 53.34 112.465 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 -128.14 1.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 72.32 112.458 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.514 ' H ' HD22 ' A' ' 29' ' ' LEU . 23.8 m-80 -94.67 -51.09 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 73.43 110.913 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.83 84.67 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 54.12 112.447 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -104.39 25.14 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 75.22 110.844 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.937 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 73.54 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -74.36 -77.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.906 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -93.04 18.68 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.75 12.15 80.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.441 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 41.46 39.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 64.55 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -128.49 95.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 74.13 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.1 m -76.22 -25.3 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 61.43 111.085 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -74.87 -170.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.826 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 t 63.99 27.44 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.0 p -65.67 -25.22 67.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 61.53 111.127 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.86 -42.86 76.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.903 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 t -62.21 -26.5 68.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 43.2 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.31 129.33 1.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.4 t -68.95 -67.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 51.42 110.887 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.76 -26.46 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 42.2 110.849 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.95 -28.67 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.34 111.163 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -70.94 -48.7 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -58.66 -40.82 84.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 51.33 110.919 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.02 25.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 74.31 112.465 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.46 -27.71 39.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 73.41 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -59.38 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 51.2 111.124 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.665 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.3 m-85 -68.07 -27.86 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.861 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -60.38 -40.33 90.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.15 85.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.12 111.064 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -32.44 74.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 63.31 112.438 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 22' ' ' PHE . 72.8 t -57.11 -41.6 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 55.33 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -62.5 -41.87 99.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -67.7 -44.05 78.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.2 110.844 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.15 -32.32 72.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.943 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -25.9 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 55.24 111.088 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -84.57 -26.48 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 72.52 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.22 82.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 55.51 112.465 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.1 -120.37 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 72.22 112.484 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.76 -73.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 73.13 110.862 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.61 28.55 67.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 63.32 112.482 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -100.49 -27.59 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 74.12 110.91 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.9 m0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 74.02 110.912 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.784 0.326 . . . . 72.32 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -81.64 -75.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 60.3 110.931 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -146.06 106.12 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.921 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.13 -33.04 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 63.12 112.487 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -86.37 103.19 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 63.04 110.946 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.95 17.33 55.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 64.13 112.512 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -76.6 -24.79 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 72.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -78.24 -7.18 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 61.12 110.868 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.7 54.33 10.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.868 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -68.49 -10.83 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 53.32 111.128 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.33 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.895 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -61.71 -25.73 67.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 64.11 110.869 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.85 -23.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.2 112.49 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -16.15 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 53.14 110.844 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -69.51 -41.27 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.11 110.874 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.44 -26.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.12 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.37 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 54.33 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -60.64 -43.73 97.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.923 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.21 -33.05 37.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 51.02 112.473 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -39.37 63.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.368 . . . . 71.31 110.887 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -56.93 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 63.44 111.078 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -55.23 -27.36 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 62.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -53.91 -37.73 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 62.11 111.073 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.77 64.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 74.42 112.519 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.84 -48.0 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 65.35 111.131 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -63.99 -23.4 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.865 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.43 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.852 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -26.12 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.89 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -45.76 70.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 64.34 111.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -91.91 -26.63 18.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.18 -93.06 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.11 112.467 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.58 139.16 2.68 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 70.41 112.464 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.99 68.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 75.2 110.912 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.32 -94.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 71.3 112.498 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -108.26 25.58 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 70.43 110.942 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.01 110.931 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.784 0.326 . . . . 72.14 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -152.9 174.76 13.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.96 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -81.97 3.62 25.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.936 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.93 78.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.32 112.513 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.423 ' H ' ' ND2' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -78.19 58.93 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 72.01 110.875 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 124.1 6.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 42.35 112.533 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -69.02 -14.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 73.3 111.123 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.87 156.26 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.24 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t 65.59 14.62 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 61.22 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 p -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 61.4 111.132 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -47.02 75.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 63.54 110.924 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -61.8 -17.93 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.836 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.49 123.86 1.71 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 74.04 112.506 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -58.25 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 71.12 110.856 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -76.19 -30.04 57.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 62.53 110.865 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG12 ' HG3' ' A' ' 20' ' ' GLU . 21.9 t -71.96 -24.1 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.16 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.73 -42.77 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.84 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.54 -55.72 24.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.43 86.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 33.53 112.54 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' HG3' HG12 ' A' ' 16' ' ' VAL . 30.1 mm-40 -60.86 -41.78 96.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 71.1 110.924 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -59.62 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 55.34 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -59.82 -24.58 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 75.14 110.917 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -57.48 -20.0 28.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.824 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.64 -10.54 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 42.55 111.125 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.65 -28.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 62.35 112.462 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 23' ' ' SER . 11.5 m -53.18 -33.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 53.04 111.161 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -34.36 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.878 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -68.63 -58.47 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.843 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.8 -25.6 67.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.95 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.35 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.112 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -86.46 -29.17 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 42.13 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.2 -112.16 1.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.492 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.43 28.52 0.24 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.709 -0.758 . . . . 42.31 112.469 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.33 25.27 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 53.33 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.37 18.38 23.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 74.41 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -100.55 26.56 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 65.21 110.844 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.2 m95 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.946 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.779 0.323 . . . . 64.54 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -152.9 -166.82 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 75.35 110.936 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -79.56 -7.11 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.932 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.19 -24.76 60.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 75.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 t30 64.36 14.0 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 70.12 110.915 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 50.02 -169.6 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 55.14 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.9 t -79.01 -24.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 64.15 111.154 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -74.13 155.79 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -78.6 57.44 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.896 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -7.25 45.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 64.12 111.134 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -19.91 7.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.874 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -56.83 -22.47 36.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 75.15 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.745 . . . . 72.51 112.505 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 p -71.68 -33.6 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 73.33 110.836 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 m -66.73 -37.42 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.93 -40.66 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 63.35 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -82.15 -77.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -64.27 -53.97 40.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.87 -32.65 4.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.524 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -42.15 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 63.04 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -59.55 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.51 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 70.1 m-85 -50.88 -31.37 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -52.05 -32.41 34.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.35 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.32 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 62.44 111.139 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.9 -33.12 6.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 72.13 112.486 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 22' ' ' PHE . 90.1 t -55.71 -39.98 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 71.02 111.136 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.9 -44.67 96.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 62.42 110.82 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.45 -43.02 77.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 64.32 110.847 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.539 HD22 ' O ' ' A' ' 33' ' ' GLY . 11.6 mt -65.49 -26.79 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 65.05 110.931 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -25.34 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 73.22 111.096 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -84.02 -26.66 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.3 103.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 60.51 112.441 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.539 ' O ' HD22 ' A' ' 29' ' ' LEU . . . 151.89 41.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 62.35 112.497 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m120 60.88 36.5 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 71.12 110.916 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.82 -29.53 55.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 51.23 112.46 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -99.71 24.93 7.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 73.03 110.866 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.948 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.767 0.318 . . . . 61.13 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -154.02 -174.95 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 61.32 110.879 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -82.21 111.78 18.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 43.01 110.959 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.62 24.26 3.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 71.12 112.495 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.96 143.05 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 74.51 110.892 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.95 99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 52.31 112.504 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 10' ' ' THR . 34.6 m -76.65 -32.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 73.21 111.088 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -82.38 -29.34 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 63.51 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.33 -35.02 55.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.22 110.835 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 7' ' ' VAL . 8.8 t -67.43 -20.24 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 33.44 111.115 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -64.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.871 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -69.39 -38.83 78.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.27 102.34 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 51.11 112.504 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -57.64 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 62.54 110.921 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -68.6 -31.48 70.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.847 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.69 -32.11 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 61.22 111.163 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.6 -74.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.3 110.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -54.06 -39.11 65.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.27 -42.26 55.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 74.53 112.456 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.91 69.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 75.1 110.871 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -59.54 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 26' ' ' VAL . 45.1 m-85 -54.24 -29.35 46.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 63.13 110.933 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -61.82 -37.33 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.875 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.31 111.112 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.83 41.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 65.31 112.448 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 22' ' ' PHE . 89.6 t -65.68 -49.51 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 64.45 111.092 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 48.6 t-80 -57.01 -24.4 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.835 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.87 -47.44 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.17 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 50.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -56.74 -47.88 79.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.53 111.091 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -92.06 -29.26 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.848 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.61 69.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 71.52 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.48 -142.28 4.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 62.23 112.51 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.98 78.76 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 75.33 110.902 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -136.19 -134.08 3.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 74.15 112.475 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 69.45 39.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 74.12 110.884 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.91 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.3 tttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.347 . . . . 65.5 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -80.75 -75.86 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.919 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -146.95 -49.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 71.12 110.91 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.85 61.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 65.11 112.507 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -87.54 -166.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 70.41 110.882 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.0 -54.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 65.21 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -69.44 -23.21 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 72.02 111.136 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -79.49 -173.94 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.79 167.91 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 62.32 110.859 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -24.28 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.15 111.186 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -55.37 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.911 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.7 t -63.73 -26.63 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 113.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 53.02 112.484 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -62.24 -62.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 72.24 110.84 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 53.25 110.885 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.33 -25.24 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.33 111.14 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -69.84 -53.23 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.87 -45.18 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 73.54 110.914 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.79 -29.91 62.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 73.23 112.465 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -35.58 73.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 71.34 110.87 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -58.34 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.067 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.6 m-85 -66.0 -30.26 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.845 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -60.1 -34.02 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 60.2 110.855 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.45 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 53.22 111.099 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.37 -39.12 57.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.737 . . . . 72.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 22' ' ' PHE . 58.0 t -55.7 -37.39 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 75.13 111.141 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -64.18 -46.01 85.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 70.22 110.812 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.99 -38.5 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 26' ' ' VAL . 10.0 mt -66.47 -43.33 85.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.937 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.27 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.101 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -85.1 -27.63 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.85 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.82 85.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 63.01 112.522 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.24 -118.2 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 55.23 112.532 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -146.71 101.32 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 55.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.87 57.2 0.72 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 72.43 112.504 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.7 t80 69.89 75.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 74.21 110.879 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 m95 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.915 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.926 0.393 . . . . 70.23 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.16 54.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 74.32 110.901 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 -45.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 73.42 112.455 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.41 98.66 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 64.15 110.935 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.29 127.68 8.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 54.25 112.502 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.33 -42.87 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 74.33 111.077 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -77.63 166.72 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.24 110.814 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -71.26 118.01 13.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.894 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -60.39 -25.16 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.155 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -48.93 73.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -67.73 -57.35 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.838 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.87 83.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 64.14 112.524 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -67.67 -56.11 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 62.22 110.86 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -71.48 -33.33 69.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 72.04 110.841 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -71.04 -25.45 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -70.31 -51.89 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 41.02 110.881 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.78 -53.79 35.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.988 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.26 -43.04 99.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 74.3 112.487 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.47 -40.18 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 73.01 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.73 -58.3 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 53.54 111.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.22 -45.91 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 t -54.43 -36.87 64.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.39 93.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 53.42 111.132 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -66.15 -29.41 74.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 75.21 112.491 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 35' ' ' GLY . 93.7 t -55.11 -30.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 75.12 111.136 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -62.36 -35.24 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.817 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -67.46 -51.17 54.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 25' ' ' GLY . 3.3 mp -68.75 -25.75 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.58 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 41.44 111.099 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -83.82 -25.95 29.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.89 76.41 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.38 -130.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 71.4 112.485 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -95.2 -49.89 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 75.32 110.843 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 26' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 50.51 112.487 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.8 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.916 0.389 . . . . 64.34 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 62.44 48.8 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 75.21 110.893 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.24 -65.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 71.22 112.465 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -87.06 103.26 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 75.41 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.43 116.47 5.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 71.23 112.465 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.49 -51.52 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 63.15 111.105 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -82.29 -75.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.856 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t -168.66 121.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 41.21 110.871 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 t -67.43 -24.84 65.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 71.4 111.154 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -55.33 -44.11 75.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -67.45 -33.83 75.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.83 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.6 103.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 65.24 112.491 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.92 97.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.14 110.832 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -68.51 -39.48 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 53.55 110.855 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.9 -24.25 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 65.01 111.11 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -69.17 -43.32 74.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.897 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -62.54 -59.9 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.0 110.962 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.41 -24.21 37.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 74.45 112.547 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -43.31 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 71.15 110.924 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -59.5 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 61.33 111.139 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.8 m-85 -53.88 -32.37 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 60.12 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.49 -32.58 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.845 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.23 39.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 45.33 111.148 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.47 -34.52 42.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.483 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 22' ' ' PHE . 62.0 t -59.41 -43.78 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 72.22 111.159 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -61.84 -44.42 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.5 110.851 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -63.98 -32.7 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.61 -30.83 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 74.55 110.938 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.5 68.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 64.51 111.08 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.67 -26.67 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.3 110.929 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.38 78.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 54.41 112.477 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.14 -108.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 55.54 112.487 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -151.71 107.53 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 74.31 110.859 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 75.32 112.495 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.3 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.963 0.411 . . . . 70.22 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 t80 62.04 52.17 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 64.25 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.0 -38.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 65.04 112.499 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -85.0 101.4 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 74.35 110.894 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.45 115.51 1.46 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.485 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.66 -30.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 74.14 111.145 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -76.97 163.72 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.839 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.44 122.12 22.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.843 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -66.27 -30.25 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 75.34 111.163 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -57.11 -40.16 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 45.24 110.881 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m -64.68 -28.31 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 65.54 110.902 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.63 102.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 74.15 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -62.94 -43.2 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 75.22 110.833 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -68.72 -38.74 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 52.42 110.872 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.57 -27.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.42 111.13 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.17 -70.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.85 -38.16 54.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.97 -45.95 84.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 75.3 112.471 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.56 -31.67 62.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 70.04 110.865 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -57.56 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.12 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -64.97 -43.08 93.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 72.35 110.905 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -54.51 -29.98 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.32 82.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.03 111.105 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.49 -33.88 55.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 51.5 112.503 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.426 ' HA ' HD12 ' A' ' 29' ' ' LEU . 86.6 t -57.54 -43.47 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 74.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.32 -45.29 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -65.1 -35.93 82.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.33 110.912 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 26' ' ' VAL . 12.5 mt -65.76 -26.65 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 -34.48 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.05 111.112 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -90.24 -27.89 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.22 88.57 0.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 54.23 112.464 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.23 -19.8 0.73 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 64.32 112.494 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.94 46.05 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 53.01 110.837 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 41.42 112.484 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.892 0.377 . . . . 72.05 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.654 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 8.5 t80 57.0 30.39 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.904 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 41.62 99.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 53.45 112.461 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 53.82 71.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 71.01 110.918 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.81 158.18 20.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 65.12 112.443 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.2 m -76.72 -20.88 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 62.41 111.161 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -74.6 123.69 25.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -77.26 173.1 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.88 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -67.5 -17.99 64.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 72.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -55.06 -57.04 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 62.44 110.911 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -61.87 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 51.41 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.92 103.49 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 70.13 112.46 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -65.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.01 110.874 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -32.48 72.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.873 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.7 t -65.37 -35.23 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 60.44 111.113 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -76.61 -70.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 72.23 110.926 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -51.88 -44.72 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 64.41 110.973 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -59.74 8.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.543 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.41 73.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 74.51 110.873 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' CD1' ' A' ' 3' ' ' TYR . . . -53.82 -55.96 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.33 111.085 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -67.47 -26.22 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.827 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -61.8 -29.82 70.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.852 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.73 72.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -39.1 13.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 54.22 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -54.82 -43.12 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 75.44 111.125 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.67 -46.22 87.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.23 110.916 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -61.32 -49.0 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.887 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.67 -26.25 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.93 -25.59 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.12 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -84.31 -26.14 28.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 61.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.66 78.74 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.723 -0.751 . . . . 51.34 112.457 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.79 30.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 42.52 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 33.34 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 73.05 110.897 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 70.03 112.484 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.911 0.386 . . . . 73.32 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 50.88 30.54 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.12 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.67 105.02 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 72.04 112.462 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -78.68 101.5 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 72.1 110.897 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.689 ' O ' HG23 ' A' ' 10' ' ' THR . . . -120.35 152.08 17.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 75.53 112.526 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.71 -22.87 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 75.24 111.126 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -76.64 -30.25 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.888 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -33.23 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 65.55 110.843 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 6' ' ' GLY . 26.5 p -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 73.52 111.126 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -55.1 -71.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 53.52 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -69.41 -57.62 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.58 113.74 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 62.54 112.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.1 t -69.38 -68.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 63.02 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -72.28 -25.75 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 64.32 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.59 -26.78 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 64.31 111.121 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -76.67 -43.88 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.843 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -63.36 -60.89 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.94 -37.33 44.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 63.1 112.466 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -70.27 -33.03 71.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 74.54 110.87 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -59.62 3.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 13.1 111.09 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -59.0 -26.19 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.865 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -59.02 -37.55 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.887 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.44 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.14 111.109 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.69 -44.12 7.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 61.35 112.483 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.77 -42.7 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 75.25 111.154 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -64.65 -39.06 93.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.854 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -67.9 -37.37 81.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.11 -26.07 64.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.43 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.24 111.113 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.91 -28.56 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 71.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.74 81.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 72.31 112.469 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.0 141.49 3.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 73.34 112.474 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.71 73.68 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 64.01 110.89 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 75.2 112.478 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.92 0.39 . . . . 75.21 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -92.29 37.98 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 43.43 110.96 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.84 -36.56 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 45.3 112.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -79.48 100.84 7.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 65.23 110.847 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.38 55.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 73.52 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 10' ' ' THR . 28.6 m -72.3 -34.89 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 54.42 111.161 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -82.39 -20.12 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 m -69.83 -18.13 63.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.847 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 7' ' ' VAL . 14.0 t -59.6 -24.0 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.03 111.144 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -55.22 -61.72 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 63.15 110.913 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 t -69.34 -41.39 76.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 52.54 110.825 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.58 106.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 74.03 112.52 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -62.35 -51.22 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 70.2 110.896 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -68.5 -36.63 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 65.24 110.855 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.5 t -71.55 -24.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.107 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -70.12 -57.29 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.79 -57.99 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.929 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.14 -42.57 55.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 73.24 112.492 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -60.52 -29.72 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 62.44 110.879 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -59.44 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.134 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -61.76 -33.89 74.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.34 110.875 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -54.92 -29.94 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 70.13 110.887 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.67 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 42.3 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.22 -34.1 21.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 52.13 112.472 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.1 t -54.73 -28.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 55.44 111.114 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -64.66 -33.92 77.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 42.22 110.846 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.64 -56.39 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.87 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.73 -26.07 67.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.911 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.22 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.22 111.126 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -91.71 -26.61 18.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.29 -111.0 1.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 64.04 112.526 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.49 32.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 64.31 112.547 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -145.6 104.93 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 74.53 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.753 . . . . 62.53 112.465 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.909 0.385 . . . . 74.12 110.929 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -92.23 38.15 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 72.22 110.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.0 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.485 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -79.17 99.99 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 72.32 110.92 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.11 99.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 74.23 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.34 -25.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 74.33 111.101 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.25 172.55 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.858 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.62 110.4 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.8 p -67.35 -26.44 66.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 50.12 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -27.52 63.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 62.21 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -63.75 -30.05 71.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.895 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.08 103.4 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 72.23 112.432 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.77 -35.6 77.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 53.42 110.858 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t -68.59 -47.26 67.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.791 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -71.57 -31.56 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.24 111.134 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.45 -73.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.883 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.413 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 8.2 m95 -58.28 -39.43 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.23 -50.45 46.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 52.12 112.507 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -29.91 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 73.34 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 18' ' ' TRP . . . -67.63 -59.54 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.11 111.109 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 26' ' ' VAL . 72.9 m-85 -64.72 -28.89 69.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.0 t -60.32 -44.87 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 62.42 110.845 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.91 63.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.72 -39.68 7.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 70.11 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 22' ' ' PHE . 47.9 t -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 72.44 111.095 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 t-80 -56.91 -24.45 52.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.819 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -47.78 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 62.12 110.866 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -25.16 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -53.46 -49.69 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 60.3 111.09 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.19 -29.28 16.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 74.32 110.833 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.27 90.09 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 75.42 112.46 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.12 18.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 45.24 112.501 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.64 49.46 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 63.01 110.884 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 65.42 112.459 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.865 0.364 . . . . 74.55 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -82.05 131.15 35.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 75.23 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 -23.98 34.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 51.12 112.526 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -87.23 84.67 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 70.1 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 81.69 1.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 64.15 112.447 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.83 -35.19 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 73.05 111.098 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -79.35 -76.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.852 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.03 118.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.43 110.863 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -67.89 -45.63 73.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 61.34 111.118 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -63.3 -37.45 87.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 74.24 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 t -61.7 -22.65 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.817 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.85 86.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 64.3 112.462 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -61.76 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 51.24 110.866 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 m -68.23 -29.93 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 41.42 110.854 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 55.13 111.107 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.51 -43.98 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 65.32 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -63.09 -60.38 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 71.12 110.941 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.36 -44.22 58.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 73.41 112.484 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.43 -45.87 92.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.34 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.74 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.2 111.078 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 26' ' ' VAL . 56.1 m-85 -64.96 -26.46 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.894 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -41.71 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.88 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.0 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 65.31 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.12 64.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 52.34 112.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' PHE . 77.9 t -57.86 -43.51 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 75.14 111.146 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.83 -24.56 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.852 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -63.59 -47.73 80.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.87 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -24.93 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.03 -25.99 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.08 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -90.96 -29.36 17.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.72 55.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 44.03 112.443 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 -142.6 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 73.33 112.537 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -94.99 -52.64 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 74.3 110.932 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 75.53 112.459 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.888 0.375 . . . . 71.41 110.929 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.9 t80 62.96 26.46 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.916 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.11 79.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 74.1 112.5 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.5 -27.36 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 75.44 110.892 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.01 19.4 14.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 71.32 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.595 HG23 ' H ' ' A' ' 9' ' ' SER . 29.9 m -75.82 -25.18 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 73.23 111.133 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.01 28.72 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.822 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -77.98 58.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 55.23 110.829 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -67.21 -28.01 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 55.41 111.132 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -56.33 -65.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.04 110.858 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -62.49 -27.46 69.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 70.32 110.845 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.64 116.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.469 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -68.34 -67.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 72.32 110.847 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -75.76 -29.7 58.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 61.11 110.86 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.4 t -64.72 -26.35 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 HD21 HG21 ' A' ' 7' ' ' VAL . 16.9 t-20 -72.18 -55.8 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.858 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -51.87 -38.76 57.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.959 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.21 -36.8 38.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 51.13 112.501 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.65 -27.34 39.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 73.14 110.885 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -58.88 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.25 111.086 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -65.21 -32.78 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.896 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.7 t -52.23 -31.5 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 31.54 110.84 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.63 73.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 52.4 111.103 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.15 -36.0 86.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 72.3 112.507 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.01 -37.56 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 75.35 111.103 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.57 -46.02 84.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.43 -44.6 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.902 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD22 ' OD1' ' A' ' 34' ' ' ASN . 12.6 mt -65.03 -30.49 71.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 65.51 110.874 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -26.0 60.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 63.23 111.11 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -84.43 -27.93 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 70.44 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.16 81.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 74.32 112.503 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.12 -132.78 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 65.41 112.518 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.544 ' OD1' HD22 ' A' ' 29' ' ' LEU . 5.5 p-10 -94.38 -52.54 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 75.14 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 63.33 112.455 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.852 0.358 . . . . 55.42 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -83.81 -25.43 30.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 72.5 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -38.61 0.83 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 73.22 112.446 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 62.02 68.41 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.52 110.887 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 112.46 4.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 62.53 112.486 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.9 -14.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 71.34 111.13 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -74.55 -75.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 70.1 110.835 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -168.9 109.17 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 50.42 110.837 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 p -67.89 -12.57 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 72.01 111.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -58.11 -22.08 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.913 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -61.42 -18.89 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.843 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.5 72.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.727 . . . . 33.44 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -44.93 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 61.14 110.818 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -67.68 -39.99 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 40.4 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.53 -37.16 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -77.0 -74.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -50.73 -44.59 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.962 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.49 -47.38 51.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 64.44 112.484 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -35.35 80.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 71.01 110.857 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 -59.69 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 111.077 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . 22.0 m-85 -61.96 -26.15 68.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -61.87 -34.3 75.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 70.33 110.858 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.32 -31.56 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 75.01 111.12 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.49 -34.75 6.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 60.22 112.478 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.3 t -55.02 -37.93 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 62.22 111.143 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 7.2 t-160 -63.41 -47.68 80.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.883 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.14 -49.48 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 71.05 110.857 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.73 -25.5 67.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -55.43 -25.75 37.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -83.88 -27.7 28.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.31 84.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 41.14 112.488 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.63 38.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 52.02 112.519 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 60.77 40.52 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 54.33 110.906 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.25 112.483 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.877 0.37 . . . . 70.23 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -84.82 92.43 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.969 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.13 -30.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 65.41 112.491 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -157.5 129.86 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 71.04 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.17 159.33 27.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 72.31 112.476 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.27 -25.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 74.24 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -74.73 148.61 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.922 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m -71.45 141.27 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.2 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.8 p -67.36 -25.17 65.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 74.02 111.19 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -55.38 -44.62 76.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.911 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 m -62.09 -27.17 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 52.02 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.03 114.38 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 63.41 112.535 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -67.32 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 75.15 110.843 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -75.02 -26.82 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 63.22 110.881 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -68.62 -27.81 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 111.107 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.26 -54.74 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.88 -56.65 12.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 65.31 110.889 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.01 -33.83 64.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.522 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.1 -32.74 74.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 72.44 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -59.5 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 52.04 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -62.16 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -52.58 -41.86 64.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.846 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.06 71.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.95 -24.44 64.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 73.22 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -25.09 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 75.3 111.131 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.865 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -72.52 -27.16 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.89 -46.4 90.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.31 25.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 70.3 111.079 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -83.78 -29.26 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -113.24 -81.8 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 70.43 112.478 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.07 -137.61 6.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.529 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -95.19 -74.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 64.05 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.769 . . . . 74.33 112.464 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.929 0.395 . . . . 64.31 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.81 13.57 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.909 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.89 46.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 52.11 112.503 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -87.25 104.12 16.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 74.43 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.78 -50.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 71.33 112.515 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -69.12 -24.73 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 63.24 111.142 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.74 26.49 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.894 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -77.96 59.79 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.839 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -67.8 -29.14 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 75.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -49.34 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 62.25 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 p -70.42 -23.35 62.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.849 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.27 104.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.52 112.497 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -66.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 71.31 110.852 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.44 -33.13 73.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.24 110.895 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.91 -39.4 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 72.43 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.57 -72.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -51.69 -50.86 59.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.04 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.61 54.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 75.13 112.486 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.79 -33.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 63.1 110.912 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.19 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.34 111.136 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.44 -43.49 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.884 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -37.85 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.85 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.85 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.53 111.151 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.59 -38.62 63.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 72.33 112.521 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -59.05 -49.2 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 52.42 111.081 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -63.99 -45.86 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.885 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -60.9 -40.19 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.828 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.3 -30.66 71.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.942 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.69 87.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 61.13 111.12 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -26.53 20.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 53.34 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.06 -88.91 1.04 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 73.24 112.462 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.15 -92.03 1.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 61.1 112.556 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -149.92 105.05 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 73.11 110.924 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.32 112.495 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.869 0.366 . . . . 74.42 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -92.69 -15.1 27.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 75.54 110.934 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.92 -10.65 59.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 74.23 112.495 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.4 140.6 22.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 43.21 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.57 106.03 0.5 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 63.11 112.483 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.4 t -76.76 -24.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.344 . . . . 33.2 111.1 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.63 165.93 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 54.14 110.918 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -73.24 95.57 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.878 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 p -67.33 -19.65 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 62.15 111.181 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -54.97 -56.36 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 54.3 110.939 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -61.85 -58.35 8.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' HA3' HG12 ' A' ' 16' ' ' VAL . . . -144.91 88.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 72.21 112.493 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -69.87 -46.7 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 62.13 110.852 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 44.42 110.863 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.464 HG12 ' HA3' ' A' ' 13' ' ' GLY . 6.0 p -63.8 -24.23 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -67.88 -46.37 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.878 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -60.33 -61.71 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 62.53 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.13 -51.87 38.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 54.03 112.471 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.22 -48.25 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 71.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.71 -59.6 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.52 111.047 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.45 -37.26 80.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -58.82 -28.75 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -31.66 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 63.11 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -24.27 53.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 54.14 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.86 -36.33 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 70.53 111.13 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -63.71 -43.8 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 63.22 110.835 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -64.84 -42.23 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.828 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.71 -40.42 88.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.26 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.11 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -88.53 -27.65 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 61.52 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.14 82.35 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 44.35 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.57 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 70.12 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -144.62 87.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 73.15 110.919 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 71.41 112.482 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.928 0.394 . . . . 75.12 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 p90 38.64 42.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 72.12 110.924 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.06 -38.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 74.22 112.495 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -80.8 71.71 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 74.43 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.48 121.31 5.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.721 -0.752 . . . . 74.13 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.57 -43.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 71.42 111.126 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -79.51 168.32 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -76.6 141.77 40.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 41.52 110.853 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 p -67.15 -25.22 66.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.43 111.145 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -55.31 -49.39 72.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.898 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -62.94 -28.49 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.16 103.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 50.2 112.465 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -65.15 -65.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.05 110.885 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -69.97 -30.63 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.66 -26.17 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -73.52 -54.01 9.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.884 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.82 -43.05 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 63.21 110.954 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.42 -34.08 68.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.506 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -58.62 -34.3 71.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 65.11 110.916 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -55.09 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 62.41 111.068 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 57.9 m-85 -68.88 -41.9 77.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -54.79 -29.28 54.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.822 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.49 94.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 71.42 111.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.53 -34.2 54.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 43.02 112.528 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 22' ' ' PHE . 70.4 t -55.15 -37.12 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 71.45 111.13 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -62.78 -48.06 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.856 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.58 -46.78 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.855 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 34' ' ' ASN . 6.1 mt -65.03 -26.67 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.919 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.5 -28.87 48.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 52.4 111.109 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.65 -29.08 25.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.886 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.52 101.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 53.34 112.465 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 -128.14 1.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 72.32 112.458 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' H ' HD22 ' A' ' 29' ' ' LEU . 23.8 m-80 -94.67 -51.09 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 73.43 110.913 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 54.12 112.447 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.909 0.385 . . . . 63.42 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -93.04 18.68 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.75 12.15 80.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.441 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 41.46 39.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 64.55 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -128.49 95.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 74.13 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.1 m -76.22 -25.3 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 61.43 111.085 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -74.87 -170.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.826 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 t 63.99 27.44 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.0 p -65.67 -25.22 67.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 61.53 111.127 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.86 -42.86 76.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.903 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 t -62.21 -26.5 68.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 43.2 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.31 129.33 1.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.4 t -68.95 -67.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 51.42 110.887 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.76 -26.46 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 42.2 110.849 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.95 -28.67 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.34 111.163 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -70.94 -48.7 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -58.66 -40.82 84.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 51.33 110.919 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.02 25.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 74.31 112.465 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.46 -27.71 39.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 73.41 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -59.38 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 51.2 111.124 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.665 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.3 m-85 -68.07 -27.86 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.861 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -60.38 -40.33 90.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.15 85.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.12 111.064 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -32.44 74.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 63.31 112.438 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 22' ' ' PHE . 72.8 t -57.11 -41.6 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 55.33 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -62.5 -41.87 99.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -67.7 -44.05 78.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.2 110.844 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.15 -32.32 72.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.943 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -25.9 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 55.24 111.088 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -84.57 -26.48 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 72.52 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.22 82.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 55.51 112.465 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.1 -120.37 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 72.22 112.484 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.76 -73.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 73.13 110.862 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 63.32 112.482 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.892 0.377 . . . . 60.3 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -146.06 106.12 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.921 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.13 -33.04 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 63.12 112.487 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.37 103.19 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 63.04 110.946 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.95 17.33 55.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 64.13 112.512 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -76.6 -24.79 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 72.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -78.24 -7.18 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 61.12 110.868 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.7 54.33 10.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.868 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -68.49 -10.83 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 53.32 111.128 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.33 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.895 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -61.71 -25.73 67.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 64.11 110.869 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.85 -23.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.2 112.49 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -16.15 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 53.14 110.844 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -69.51 -41.27 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.11 110.874 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.44 -26.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.12 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.37 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 54.33 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -60.64 -43.73 97.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.923 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.21 -33.05 37.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 51.02 112.473 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -39.37 63.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.368 . . . . 71.31 110.887 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -56.93 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 63.44 111.078 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -55.23 -27.36 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 62.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -53.91 -37.73 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 62.11 111.073 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.77 64.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 74.42 112.519 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.84 -48.0 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 65.35 111.131 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -63.99 -23.4 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.865 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.43 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.852 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -26.12 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.89 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -45.76 70.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 64.34 111.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -91.91 -26.63 18.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.18 -93.06 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.11 112.467 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.58 139.16 2.68 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 70.41 112.464 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.99 68.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 75.2 110.912 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 71.3 112.498 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.86 0.362 . . . . 75.44 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -81.97 3.62 25.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.936 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.93 78.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.32 112.513 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.423 ' H ' ' ND2' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -78.19 58.93 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 72.01 110.875 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 124.1 6.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 42.35 112.533 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -69.02 -14.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 73.3 111.123 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.87 156.26 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.24 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t 65.59 14.62 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 61.22 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 p -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 61.4 111.132 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -47.02 75.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 63.54 110.924 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -61.8 -17.93 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.836 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.49 123.86 1.71 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 74.04 112.506 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -58.25 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 71.12 110.856 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -76.19 -30.04 57.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 62.53 110.865 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG12 ' HG3' ' A' ' 20' ' ' GLU . 21.9 t -71.96 -24.1 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.16 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.73 -42.77 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.84 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.54 -55.72 24.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.43 86.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 33.53 112.54 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' HG3' HG12 ' A' ' 16' ' ' VAL . 30.1 mm-40 -60.86 -41.78 96.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 71.1 110.924 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -59.62 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 55.34 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -59.82 -24.58 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 75.14 110.917 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -57.48 -20.0 28.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.824 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.64 -10.54 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 42.55 111.125 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.65 -28.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 62.35 112.462 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 23' ' ' SER . 11.5 m -53.18 -33.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 53.04 111.161 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -34.36 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.878 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -68.63 -58.47 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.843 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.8 -25.6 67.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.95 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.35 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.112 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.46 -29.17 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 42.13 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.2 -112.16 1.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.492 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.43 28.52 0.24 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.709 -0.758 . . . . 42.31 112.469 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.33 25.27 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 53.33 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 74.41 112.477 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.905 0.383 . . . . 75.35 110.936 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -79.56 -7.11 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.932 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.19 -24.76 60.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 75.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 t30 64.36 14.0 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 70.12 110.915 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 50.02 -169.6 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 55.14 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.9 t -79.01 -24.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 64.15 111.154 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -74.13 155.79 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -78.6 57.44 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.896 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -7.25 45.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 64.12 111.134 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -19.91 7.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.874 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -56.83 -22.47 36.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 75.15 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.745 . . . . 72.51 112.505 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 p -71.68 -33.6 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 73.33 110.836 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 m -66.73 -37.42 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.93 -40.66 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 63.35 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -82.15 -77.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -64.27 -53.97 40.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.87 -32.65 4.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.524 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -42.15 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 63.04 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -59.55 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.51 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 70.1 m-85 -50.88 -31.37 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -52.05 -32.41 34.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.35 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.32 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 62.44 111.139 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.9 -33.12 6.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 72.13 112.486 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 22' ' ' PHE . 90.1 t -55.71 -39.98 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 71.02 111.136 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.9 -44.67 96.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 62.42 110.82 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.45 -43.02 77.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 64.32 110.847 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.539 HD22 ' O ' ' A' ' 33' ' ' GLY . 11.6 mt -65.49 -26.79 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 65.05 110.931 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -25.34 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 73.22 111.096 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -84.02 -26.66 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.3 103.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 60.51 112.441 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.539 ' O ' HD22 ' A' ' 29' ' ' LEU . . . 151.89 41.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 62.35 112.497 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m120 60.88 36.5 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 71.12 110.916 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 51.23 112.46 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.95 0.405 . . . . 61.32 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -82.21 111.78 18.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 43.01 110.959 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.62 24.26 3.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 71.12 112.495 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.96 143.05 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 74.51 110.892 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.95 99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 52.31 112.504 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 10' ' ' THR . 34.6 m -76.65 -32.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 73.21 111.088 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -82.38 -29.34 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 63.51 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.33 -35.02 55.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.22 110.835 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 7' ' ' VAL . 8.8 t -67.43 -20.24 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 33.44 111.115 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -64.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.871 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -69.39 -38.83 78.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.27 102.34 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 51.11 112.504 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -57.64 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 62.54 110.921 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -68.6 -31.48 70.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.847 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.69 -32.11 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 61.22 111.163 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.6 -74.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.3 110.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -54.06 -39.11 65.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.27 -42.26 55.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 74.53 112.456 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.91 69.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 75.1 110.871 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -59.54 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 26' ' ' VAL . 45.1 m-85 -54.24 -29.35 46.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 63.13 110.933 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -61.82 -37.33 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.875 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.31 111.112 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.83 41.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 65.31 112.448 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 22' ' ' PHE . 89.6 t -65.68 -49.51 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 64.45 111.092 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 48.6 t-80 -57.01 -24.4 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.835 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.87 -47.44 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.17 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 50.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -56.74 -47.88 79.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.53 111.091 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -92.06 -29.26 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.848 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.61 69.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 71.52 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.48 -142.28 4.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 62.23 112.51 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.98 78.76 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 75.33 110.902 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 74.15 112.475 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.956 0.408 . . . . 74.11 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -146.95 -49.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 71.12 110.91 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.85 61.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 65.11 112.507 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -87.54 -166.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 70.41 110.882 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.0 -54.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 65.21 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -69.44 -23.21 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 72.02 111.136 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -79.49 -173.94 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.79 167.91 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 62.32 110.859 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -24.28 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.15 111.186 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -55.37 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.911 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.7 t -63.73 -26.63 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 113.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 53.02 112.484 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -62.24 -62.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 72.24 110.84 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 53.25 110.885 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.33 -25.24 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.33 111.14 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -69.84 -53.23 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.87 -45.18 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 73.54 110.914 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.79 -29.91 62.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 73.23 112.465 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -35.58 73.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 71.34 110.87 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -58.34 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.067 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.6 m-85 -66.0 -30.26 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.845 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -60.1 -34.02 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 60.2 110.855 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.45 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 53.22 111.099 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.37 -39.12 57.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.737 . . . . 72.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 22' ' ' PHE . 58.0 t -55.7 -37.39 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 75.13 111.141 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -64.18 -46.01 85.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 70.22 110.812 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.99 -38.5 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 26' ' ' VAL . 10.0 mt -66.47 -43.33 85.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.937 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.27 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.101 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -85.1 -27.63 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.85 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.82 85.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 63.01 112.522 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.24 -118.2 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 55.23 112.532 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -146.71 101.32 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 55.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 72.43 112.504 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 tptt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.787 0.327 . . . . 64.2 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -157.62 144.58 18.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 70.23 110.946 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.16 54.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 74.32 110.901 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 -45.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 73.42 112.455 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -85.41 98.66 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 64.15 110.935 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.29 127.68 8.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 54.25 112.502 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.33 -42.87 65.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 74.33 111.077 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -77.63 166.72 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.24 110.814 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -71.26 118.01 13.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.894 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -60.39 -25.16 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.155 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -48.93 73.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -67.73 -57.35 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.5 110.838 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.87 83.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 64.14 112.524 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -67.67 -56.11 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 62.22 110.86 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -71.48 -33.33 69.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 72.04 110.841 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -71.04 -25.45 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -70.31 -51.89 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 41.02 110.881 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.78 -53.79 35.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.988 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.26 -43.04 99.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 74.3 112.487 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.47 -40.18 71.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 73.01 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.73 -58.3 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 53.54 111.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -62.22 -45.91 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 t -54.43 -36.87 64.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.39 93.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 53.42 111.132 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -66.15 -29.41 74.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 75.21 112.491 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 35' ' ' GLY . 93.7 t -55.11 -30.35 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 75.12 111.136 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -62.36 -35.24 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.817 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -67.46 -51.17 54.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 25' ' ' GLY . 3.3 mp -68.75 -25.75 64.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.84 -23.58 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 41.44 111.099 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -83.82 -25.95 29.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.89 76.41 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.38 -130.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 71.4 112.485 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -95.2 -49.89 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 75.32 110.843 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 26' ' ' VAL . . . 74.87 -82.4 0.85 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 50.51 112.487 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -146.34 26.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 64.44 110.876 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.872 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.8 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.836 0.351 . . . . 74.45 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -163.64 130.58 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.927 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.4 t80 62.44 48.8 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 75.21 110.893 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.24 -65.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 71.22 112.465 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -87.06 103.26 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 75.41 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.43 116.47 5.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 71.23 112.465 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.49 -51.52 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 63.15 111.105 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -82.29 -75.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.856 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t -168.66 121.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 41.21 110.871 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 t -67.43 -24.84 65.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 71.4 111.154 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -55.33 -44.11 75.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -67.45 -33.83 75.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.83 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.6 103.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 65.24 112.491 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -43.92 97.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.14 110.832 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -68.51 -39.48 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 53.55 110.855 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.9 -24.25 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 65.01 111.11 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -69.17 -43.32 74.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.897 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -62.54 -59.9 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.0 110.962 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.41 -24.21 37.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 74.45 112.547 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -43.31 15.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 71.15 110.924 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -59.5 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 61.33 111.139 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.8 m-85 -53.88 -32.37 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 60.12 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -61.49 -32.58 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.845 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -53.23 39.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 45.33 111.148 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.47 -34.52 42.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.483 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 22' ' ' PHE . 62.0 t -59.41 -43.78 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 72.22 111.159 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -61.84 -44.42 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 71.5 110.851 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -63.98 -32.7 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.61 -30.83 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 74.55 110.938 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.5 68.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 64.51 111.08 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.67 -26.67 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.3 110.929 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.38 78.81 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 54.41 112.477 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.14 -108.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 55.54 112.487 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -151.71 107.53 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 74.31 110.859 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.8 -113.85 1.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 75.32 112.495 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.99 28.43 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 74.53 110.923 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.6 m0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.494 . . . . 63.12 110.901 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 pttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.771 0.319 . . . . 75.44 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -160.26 132.24 6.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 70.22 110.889 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 t80 62.04 52.17 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 64.25 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.0 -38.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 65.04 112.499 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -85.0 101.4 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 74.35 110.894 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.45 115.51 1.46 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.485 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.66 -30.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 74.14 111.145 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -76.97 163.72 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.839 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.44 122.12 22.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.843 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 p -66.27 -30.25 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 75.34 111.163 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -57.11 -40.16 76.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 45.24 110.881 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m -64.68 -28.31 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 65.54 110.902 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.63 102.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 74.15 112.478 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -62.94 -43.2 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 75.22 110.833 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.7 t -68.72 -38.74 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 52.42 110.872 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.57 -27.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.42 111.13 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.17 -70.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.85 -38.16 54.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.97 -45.95 84.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 75.3 112.471 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.56 -31.67 62.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 70.04 110.865 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -57.56 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.12 111.064 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -64.97 -43.08 93.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 72.35 110.905 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 t -54.51 -29.98 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.32 82.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.03 111.105 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.49 -33.88 55.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 51.5 112.503 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.426 ' HA ' HD12 ' A' ' 29' ' ' LEU . 86.6 t -57.54 -43.47 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 74.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.32 -45.29 88.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -65.1 -35.93 82.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.33 110.912 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 26' ' ' VAL . 12.5 mt -65.76 -26.65 67.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 -34.48 64.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 62.05 111.112 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -90.24 -27.89 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.22 88.57 0.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 54.23 112.464 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.23 -19.8 0.73 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 64.32 112.494 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.94 46.05 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 53.01 110.837 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.06 86.37 1.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 41.42 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -100.11 -28.65 12.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 74.24 110.826 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 m0 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 72.2 110.951 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.776 0.322 . . . . 71.4 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -156.7 130.21 8.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 72.05 110.942 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.654 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 8.5 t80 57.0 30.39 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.904 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 41.62 99.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 53.45 112.461 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 53.82 71.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 71.01 110.918 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.81 158.18 20.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 65.12 112.443 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.2 m -76.72 -20.88 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 62.41 111.161 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -74.6 123.69 25.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.876 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -77.26 173.1 12.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.88 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -67.5 -17.99 64.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 72.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -55.06 -57.04 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 62.44 110.911 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -61.87 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 51.41 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.92 103.49 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 70.13 112.46 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -65.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.01 110.874 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -32.48 72.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.873 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.7 t -65.37 -35.23 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 60.44 111.113 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -76.61 -70.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 72.23 110.926 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -51.88 -44.72 63.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 64.41 110.973 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -59.74 8.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.543 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.41 73.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 74.51 110.873 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' CD1' ' A' ' 3' ' ' TYR . . . -53.82 -55.96 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.33 111.085 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -67.47 -26.22 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.827 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -61.8 -29.82 70.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.852 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.0 -32.73 72.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.116 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -39.1 13.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 54.22 112.462 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -54.82 -43.12 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 75.44 111.125 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.67 -46.22 87.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.23 110.916 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -61.32 -49.0 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.887 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.67 -26.25 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.93 -25.59 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.12 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -84.31 -26.14 28.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 61.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.66 78.74 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.723 -0.751 . . . . 51.34 112.457 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.79 30.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 42.52 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 33.34 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 73.05 110.897 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.62 -94.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 70.03 112.484 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -99.87 26.35 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 74.41 110.858 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 m95 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.964 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.83 0.347 . . . . 71.04 110.919 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -81.88 124.9 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.905 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 50.88 30.54 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.12 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.67 105.02 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 72.04 112.462 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -78.68 101.5 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 72.1 110.897 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.689 ' O ' HG23 ' A' ' 10' ' ' THR . . . -120.35 152.08 17.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 75.53 112.526 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.71 -22.87 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 75.24 111.126 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -76.64 -30.25 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.888 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -33.23 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 65.55 110.843 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 6' ' ' GLY . 26.5 p -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 73.52 111.126 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -55.1 -71.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 53.52 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -69.41 -57.62 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.58 113.74 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 62.54 112.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.1 t -69.38 -68.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 63.02 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -72.28 -25.75 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 64.32 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.59 -26.78 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 64.31 111.121 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -76.67 -43.88 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.843 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -63.36 -60.89 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.94 -37.33 44.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 63.1 112.466 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -70.27 -33.03 71.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 74.54 110.87 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -59.62 3.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 13.1 111.09 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -59.0 -26.19 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.865 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -59.02 -37.55 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.887 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.44 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 72.14 111.109 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.69 -44.12 7.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 61.35 112.483 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.77 -42.7 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 75.25 111.154 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -64.65 -39.06 93.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.854 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -67.9 -37.37 81.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.11 -26.07 64.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.43 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.24 111.113 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.91 -28.56 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 71.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.74 81.67 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 72.31 112.469 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.0 141.49 3.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 73.34 112.474 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -87.71 73.68 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 64.01 110.89 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.68 65.56 4.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 75.2 112.478 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -100.56 -26.35 13.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 70.15 110.845 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 m0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.931 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.5 mttm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.817 0.341 . . . . 73.44 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -158.3 -179.34 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.881 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -92.29 37.98 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 43.43 110.96 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.84 -36.56 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 45.3 112.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -79.48 100.84 7.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 65.23 110.847 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 147.38 55.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 73.52 112.467 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 10' ' ' THR . 28.6 m -72.3 -34.89 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 54.42 111.161 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -82.39 -20.12 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 m -69.83 -18.13 63.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.847 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 7' ' ' VAL . 14.0 t -59.6 -24.0 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.03 111.144 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -55.22 -61.72 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 63.15 110.913 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 t -69.34 -41.39 76.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 52.54 110.825 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.58 106.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 74.03 112.52 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -62.35 -51.22 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 70.2 110.896 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 t -68.5 -36.63 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 65.24 110.855 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.5 t -71.55 -24.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.107 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -70.12 -57.29 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.79 -57.99 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.929 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.14 -42.57 55.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 73.24 112.492 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -60.52 -29.72 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 62.44 110.879 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -59.44 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.134 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -61.76 -33.89 74.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.34 110.875 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -54.92 -29.94 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 70.13 110.887 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.67 73.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 42.3 111.071 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.22 -34.1 21.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 52.13 112.472 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.1 t -54.73 -28.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 55.44 111.114 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -64.66 -33.92 77.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 42.22 110.846 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.64 -56.39 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.87 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.73 -26.07 67.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.911 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.22 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.22 111.126 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -91.71 -26.61 18.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.29 -111.0 1.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.806 -0.712 . . . . 64.04 112.526 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.49 32.72 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 64.31 112.547 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -145.6 104.93 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 74.53 110.899 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.67 19.81 2.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.753 . . . . 62.53 112.465 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -100.49 -27.11 13.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 75.24 110.881 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 m0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.914 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.85 0.357 . . . . 74.42 110.88 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -163.58 -179.93 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.929 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -92.23 38.15 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 72.22 110.916 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.79 -36.0 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.485 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -79.17 99.99 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 72.32 110.92 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.11 99.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 74.23 112.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -76.34 -25.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 74.33 111.101 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.25 172.55 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.858 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.62 110.4 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.8 p -67.35 -26.44 66.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 50.12 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -27.52 63.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 62.21 110.917 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -63.75 -30.05 71.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.895 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.08 103.4 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 72.23 112.432 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.77 -35.6 77.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 53.42 110.858 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t -68.59 -47.26 67.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.791 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -71.57 -31.56 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.24 111.134 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.45 -73.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.883 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.413 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 8.2 m95 -58.28 -39.43 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.23 -50.45 46.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 52.12 112.507 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -29.91 49.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 73.34 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 18' ' ' TRP . . . -67.63 -59.54 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.11 111.109 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 26' ' ' VAL . 72.9 m-85 -64.72 -28.89 69.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.897 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.0 t -60.32 -44.87 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 62.42 110.845 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.91 63.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 65.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.72 -39.68 7.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 70.11 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 22' ' ' PHE . 47.9 t -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 72.44 111.095 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 1.8 t-80 -56.91 -24.45 52.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.819 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -47.78 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 62.12 110.866 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -25.16 67.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -53.46 -49.69 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 60.3 111.09 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.19 -29.28 16.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 74.32 110.833 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.27 90.09 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 75.42 112.46 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.12 18.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 45.24 112.501 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.64 49.46 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 63.01 110.884 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -107.9 27.79 13.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 65.42 112.459 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -104.31 -15.2 15.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 73.24 110.857 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 63.43 110.929 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 75.54 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.82 -169.07 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.55 110.926 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -82.05 131.15 35.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 75.23 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 -23.98 34.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 51.12 112.526 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -87.23 84.67 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 70.1 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.18 81.69 1.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 64.15 112.447 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.83 -35.19 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 73.05 111.098 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -79.35 -76.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.852 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.03 118.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 63.43 110.863 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -67.89 -45.63 73.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 61.34 111.118 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -63.3 -37.45 87.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 74.24 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 t -61.7 -22.65 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.817 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.85 86.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 64.3 112.462 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -61.76 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 51.24 110.866 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 m -68.23 -29.93 68.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 41.42 110.854 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.69 -25.33 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 55.13 111.107 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.51 -43.98 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 65.32 110.889 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -63.09 -60.38 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 71.12 110.941 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.36 -44.22 58.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 73.41 112.484 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -61.43 -45.87 92.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.34 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.34 -59.74 4.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.2 111.078 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 26' ' ' VAL . 56.1 m-85 -64.96 -26.46 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.894 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -41.71 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.88 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.0 91.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 65.31 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -47.12 64.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 52.34 112.507 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' PHE . 77.9 t -57.86 -43.51 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 75.14 111.146 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.83 -24.56 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.852 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -63.59 -47.73 80.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.87 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -24.93 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.03 -25.99 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.08 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -90.96 -29.36 17.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.879 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.72 55.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 44.03 112.443 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 -142.6 5.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 73.33 112.537 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -94.99 -52.64 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 74.3 110.932 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.22 62.04 6.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 75.53 112.459 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -104.32 24.98 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 75.34 110.847 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.929 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 72.21 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -157.43 131.36 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 71.41 110.929 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.9 t80 62.96 26.46 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.916 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.11 79.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 74.1 112.5 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.5 -27.36 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 75.44 110.892 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.01 19.4 14.98 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 71.32 112.48 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.595 HG23 ' H ' ' A' ' 9' ' ' SER . 29.9 m -75.82 -25.18 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 73.23 111.133 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.01 28.72 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.822 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -77.98 58.54 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 55.23 110.829 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -67.21 -28.01 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 55.41 111.132 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -56.33 -65.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.04 110.858 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -62.49 -27.46 69.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 70.32 110.845 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.64 116.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.469 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 p -68.34 -67.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 72.32 110.847 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -75.76 -29.7 58.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 61.11 110.86 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.4 t -64.72 -26.35 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.128 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 HD21 HG21 ' A' ' 7' ' ' VAL . 16.9 t-20 -72.18 -55.8 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.858 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -51.87 -38.76 57.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.959 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.21 -36.8 38.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 51.13 112.501 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.65 -27.34 39.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 73.14 110.885 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.24 -58.88 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.25 111.086 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -65.21 -32.78 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.896 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.7 t -52.23 -31.5 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 31.54 110.84 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.63 73.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 52.4 111.103 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.15 -36.0 86.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.729 . . . . 72.3 112.507 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.01 -37.56 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 75.35 111.103 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -64.57 -46.02 84.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.43 -44.6 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.902 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD22 ' OD1' ' A' ' 34' ' ' ASN . 12.6 mt -65.03 -30.49 71.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 65.51 110.874 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -26.0 60.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 63.23 111.11 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -84.43 -27.93 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 70.44 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.16 81.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 74.32 112.503 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.12 -132.78 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 65.41 112.518 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.544 ' OD1' HD22 ' A' ' 29' ' ' LEU . 5.5 p-10 -94.38 -52.54 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 75.14 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.05 24.03 41.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 63.33 112.455 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -100.32 -27.07 13.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 65.51 110.881 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.961 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.738 0.304 . . . . 74.24 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -78.91 -169.63 1.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 55.42 110.942 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -83.81 -25.43 30.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 72.5 110.92 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -38.61 0.83 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 73.22 112.446 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 62.02 68.41 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.52 110.887 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.47 112.46 4.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 62.53 112.486 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.9 -14.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 71.34 111.13 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -74.55 -75.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 70.1 110.835 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -168.9 109.17 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 50.42 110.837 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.7 p -67.89 -12.57 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 72.01 111.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -58.11 -22.08 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.913 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -61.42 -18.89 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.843 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.5 72.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.727 . . . . 33.44 112.469 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -44.93 75.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 61.14 110.818 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -67.68 -39.99 84.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 40.4 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.53 -37.16 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -77.0 -74.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.897 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -50.73 -44.59 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.962 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.49 -47.38 51.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 64.44 112.484 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -35.35 80.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 71.01 110.857 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 -59.69 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 111.077 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . 22.0 m-85 -61.96 -26.15 68.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -61.87 -34.3 75.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 70.33 110.858 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.32 -31.56 54.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 75.01 111.12 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.49 -34.75 6.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 60.22 112.478 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.3 t -55.02 -37.93 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 62.22 111.143 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 7.2 t-160 -63.41 -47.68 80.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.883 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.14 -49.48 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 71.05 110.857 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.73 -25.5 67.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.883 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -55.43 -25.75 37.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.095 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -83.88 -27.7 28.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.31 84.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 41.14 112.488 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.63 38.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 52.02 112.519 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 60.77 40.52 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 54.33 110.906 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.2 -64.97 1.61 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.25 112.483 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -144.36 -57.96 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 71.45 110.915 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.925 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.827 0.346 . . . . 63.23 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -76.01 -170.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 70.23 110.923 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -84.82 92.43 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.969 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.13 -30.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 65.41 112.491 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -157.5 129.86 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 71.04 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.17 159.33 27.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 72.31 112.476 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -76.27 -25.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 74.24 111.094 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -74.73 148.61 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.922 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m -71.45 141.27 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.2 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.8 p -67.36 -25.17 65.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 74.02 111.19 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -55.38 -44.62 76.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.911 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 m -62.09 -27.17 68.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 52.02 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.03 114.38 0.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 63.41 112.535 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -67.32 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 75.15 110.843 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -75.02 -26.82 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 63.22 110.881 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -68.62 -27.81 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 111.107 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.26 -54.74 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.922 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.88 -56.65 12.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 65.31 110.889 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.01 -33.83 64.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.522 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -65.1 -32.74 74.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 72.44 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.03 -59.5 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 52.04 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -62.16 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -52.58 -41.86 64.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.846 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.06 71.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.95 -24.44 64.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 73.22 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.5 t -55.71 -25.09 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.381 . . . . 75.3 111.131 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.37 -32.13 73.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.865 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -72.52 -27.16 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.89 -46.4 90.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.12 -28.31 25.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 70.3 111.079 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -83.78 -29.26 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -113.24 -81.8 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 70.43 112.478 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.07 -137.61 6.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.529 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -95.19 -74.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 64.05 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.18 22.3 13.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.769 . . . . 74.33 112.464 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -107.87 -73.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 74.11 110.874 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.3 m95 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.92 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.338 . . . . 73.02 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -81.66 164.72 21.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.884 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.81 13.57 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.909 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.89 46.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 52.11 112.503 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -87.25 104.12 16.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 74.43 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.78 -50.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 71.33 112.515 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -69.12 -24.73 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 63.24 111.142 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 51.74 26.49 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.894 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -77.96 59.79 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.839 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 t -67.8 -29.14 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 75.13 111.163 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -49.34 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 62.25 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.0 p -70.42 -23.35 62.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.849 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.27 104.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 53.52 112.497 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -66.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 71.31 110.852 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.44 -33.13 73.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.24 110.895 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.91 -39.4 85.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 72.43 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.57 -72.04 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -51.69 -50.86 59.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.04 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.61 54.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 75.13 112.486 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.79 -33.1 74.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 63.1 110.912 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.19 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.34 111.136 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.44 -43.49 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.884 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -56.83 -37.85 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.85 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.85 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.53 111.151 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.59 -38.62 63.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 72.33 112.521 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG22 ' HB2' ' A' ' 37' ' ' TRP . 39.4 t -59.05 -49.2 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 52.42 111.081 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -63.99 -45.86 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.885 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -60.9 -40.19 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.828 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.3 -30.66 71.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.942 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.69 87.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 61.13 111.12 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.81 -26.53 20.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 53.34 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.06 -88.91 1.04 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 73.24 112.462 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.15 -92.03 1.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 61.1 112.556 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -149.92 105.05 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 73.11 110.924 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.58 90.63 0.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.32 112.495 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -104.75 1.87 29.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 71.4 110.899 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.606 ' HB2' HG22 ' A' ' 26' ' ' VAL . 14.7 m95 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 71.55 110.914 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.6 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.746 0.308 . . . . 75.54 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -83.42 -80.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.94 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -92.69 -15.1 27.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 75.54 110.934 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.92 -10.65 59.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 74.23 112.495 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.4 140.6 22.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 43.21 110.903 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.57 106.03 0.5 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 63.11 112.483 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.4 t -76.76 -24.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.344 . . . . 33.2 111.1 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.63 165.93 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 54.14 110.918 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -73.24 95.57 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.878 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 p -67.33 -19.65 65.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 62.15 111.181 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -54.97 -56.36 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 54.3 110.939 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -61.85 -58.35 8.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' HA3' HG12 ' A' ' 16' ' ' VAL . . . -144.91 88.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 72.21 112.493 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -69.87 -46.7 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 62.13 110.852 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 44.42 110.863 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.464 HG12 ' HA3' ' A' ' 13' ' ' GLY . 6.0 p -63.8 -24.23 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -67.88 -46.37 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.878 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -60.33 -61.71 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 62.53 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.13 -51.87 38.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 54.03 112.471 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.22 -48.25 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 71.53 110.866 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.71 -59.6 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.52 111.047 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.45 -37.26 80.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -58.82 -28.75 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -31.66 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 63.11 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.68 -24.27 53.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 54.14 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.86 -36.33 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 70.53 111.13 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -63.71 -43.8 95.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 63.22 110.835 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -64.84 -42.23 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.828 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.71 -40.42 88.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.26 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.11 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -88.53 -27.65 21.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 61.52 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.14 82.35 0.14 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 44.35 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.57 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 70.12 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -144.62 87.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 73.15 110.919 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.85 39.74 1.68 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 71.41 112.482 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.39 -26.56 13.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 61.25 110.874 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.904 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.766 0.317 . . . . 65.03 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -157.09 155.96 31.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.12 110.908 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 p90 38.64 42.42 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 72.12 110.924 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.06 -38.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 74.22 112.495 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -80.8 71.71 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 74.43 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.48 121.31 5.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.721 -0.752 . . . . 74.13 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.57 -43.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 71.42 111.126 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -79.51 168.32 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -76.6 141.77 40.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 41.52 110.853 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 p -67.15 -25.22 66.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.43 111.145 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -55.31 -49.39 72.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.898 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.6 m -62.94 -28.49 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.831 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.16 103.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 50.2 112.465 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -65.15 -65.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.05 110.885 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -69.97 -30.63 68.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.13 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.66 -26.17 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -73.52 -54.01 9.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.884 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.82 -43.05 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 63.21 110.954 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.42 -34.08 68.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.506 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -58.62 -34.3 71.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 65.11 110.916 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.6 -55.09 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 62.41 111.068 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 57.9 m-85 -68.88 -41.9 77.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -54.79 -29.28 54.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.822 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.49 94.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 71.42 111.068 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.53 -34.2 54.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 43.02 112.528 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 22' ' ' PHE . 70.4 t -55.15 -37.12 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 71.45 111.13 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -62.78 -48.06 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.856 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.58 -46.78 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.855 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 34' ' ' ASN . 6.1 mt -65.03 -26.67 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.919 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.5 -28.87 48.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 52.4 111.109 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -84.65 -29.08 25.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.886 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.52 101.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 53.34 112.465 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.04 -128.14 1.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 72.32 112.458 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.514 ' H ' HD22 ' A' ' 29' ' ' LEU . 23.8 m-80 -94.67 -51.09 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 73.43 110.913 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.83 84.67 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 54.12 112.447 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -104.39 25.14 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 75.22 110.844 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.937 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 73.54 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -74.36 -77.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.42 110.906 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -93.04 18.68 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.75 12.15 80.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 60.43 112.441 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 41.46 39.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 64.55 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -128.49 95.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 74.13 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.1 m -76.22 -25.3 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 61.43 111.085 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -74.87 -170.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.826 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 t 63.99 27.44 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.0 p -65.67 -25.22 67.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 61.53 111.127 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.86 -42.86 76.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.903 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 t -62.21 -26.5 68.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 43.2 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.31 129.33 1.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.705 -0.76 . . . . 74.43 112.49 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.4 t -68.95 -67.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 51.42 110.887 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.76 -26.46 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 42.2 110.849 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.95 -28.67 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 73.34 111.163 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -70.94 -48.7 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -58.66 -40.82 84.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 51.33 110.919 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -40.02 25.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 74.31 112.465 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.46 -27.71 39.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 73.41 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 -59.38 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 51.2 111.124 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.665 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.3 m-85 -68.07 -27.86 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.861 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -60.38 -40.33 90.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.15 85.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.12 111.064 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.75 -32.44 74.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 63.31 112.438 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 22' ' ' PHE . 72.8 t -57.11 -41.6 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 55.33 111.164 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -62.5 -41.87 99.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -67.7 -44.05 78.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.2 110.844 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.15 -32.32 72.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.943 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.98 -25.9 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 55.24 111.088 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -84.57 -26.48 27.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 72.52 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.22 82.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 55.51 112.465 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.1 -120.37 0.95 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 72.22 112.484 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.76 -73.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 73.13 110.862 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.61 28.55 67.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 63.32 112.482 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -100.49 -27.59 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 74.12 110.91 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.9 m0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 74.02 110.912 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.784 0.326 . . . . 72.32 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -81.64 -75.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 60.3 110.931 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -146.06 106.12 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.921 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.13 -33.04 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 63.12 112.487 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.37 103.19 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 63.04 110.946 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.95 17.33 55.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 64.13 112.512 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -76.6 -24.79 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 72.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -78.24 -7.18 56.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 61.12 110.868 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 48.7 54.33 10.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.868 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -68.49 -10.83 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 53.32 111.128 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -25.33 16.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.895 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -61.71 -25.73 67.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 64.11 110.869 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.85 -23.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.2 112.49 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -16.15 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 53.14 110.844 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -69.51 -41.27 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.11 110.874 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.44 -26.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.12 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.37 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 54.33 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -60.64 -43.73 97.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.923 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.21 -33.05 37.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 51.02 112.473 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -39.37 63.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.368 . . . . 71.31 110.887 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -56.93 8.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 63.44 111.078 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -55.23 -27.36 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 62.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -53.91 -37.73 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 62.11 111.073 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.11 -30.77 64.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 74.42 112.519 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.84 -48.0 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 65.35 111.131 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -63.99 -23.4 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.865 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.43 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.852 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -26.12 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.89 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -45.76 70.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 64.34 111.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -91.91 -26.63 18.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.18 -93.06 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 71.11 112.467 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.58 139.16 2.68 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 70.41 112.464 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.99 68.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 75.2 110.912 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.32 -94.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 71.3 112.498 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -108.26 25.58 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 70.43 110.942 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.01 110.931 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.784 0.326 . . . . 72.14 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -152.9 174.76 13.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.96 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -81.97 3.62 25.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.936 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.93 78.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.32 112.513 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.423 ' H ' ' ND2' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -78.19 58.93 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 72.01 110.875 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 124.1 6.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 42.35 112.533 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -69.02 -14.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 73.3 111.123 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -78.87 156.26 28.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.24 110.872 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t 65.59 14.62 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 61.22 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 p -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 61.4 111.132 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -47.02 75.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 63.54 110.924 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.8 t -61.8 -17.93 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.836 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.49 123.86 1.71 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 74.04 112.506 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -58.25 8.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 71.12 110.856 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -76.19 -30.04 57.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 62.53 110.865 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG12 ' HG3' ' A' ' 20' ' ' GLU . 21.9 t -71.96 -24.1 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.16 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.73 -42.77 77.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.84 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.54 -55.72 24.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.905 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -48.43 86.18 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 33.53 112.54 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' HG3' HG12 ' A' ' 16' ' ' VAL . 30.1 mm-40 -60.86 -41.78 96.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 71.1 110.924 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.7 -59.62 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 55.34 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -59.82 -24.58 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 75.14 110.917 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -57.48 -20.0 28.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.824 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.64 -10.54 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 42.55 111.125 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -119.65 -28.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 62.35 112.462 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 23' ' ' SER . 11.5 m -53.18 -33.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 53.04 111.161 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -34.36 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.878 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -68.63 -58.47 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.843 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.8 -25.6 67.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.95 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.35 61.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.112 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.46 -29.17 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 42.13 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.2 -112.16 1.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.492 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.43 28.52 0.24 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.709 -0.758 . . . . 42.31 112.469 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.33 25.27 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 53.33 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.37 18.38 23.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 74.41 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -100.55 26.56 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 65.21 110.844 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.2 m95 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.946 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.779 0.323 . . . . 64.54 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -152.9 -166.82 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 75.35 110.936 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -79.56 -7.11 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.932 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.19 -24.76 60.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 75.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 t30 64.36 14.0 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 70.12 110.915 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 50.02 -169.6 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 55.14 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.9 t -79.01 -24.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 64.15 111.154 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -74.13 155.79 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -78.6 57.44 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.896 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -7.25 45.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 64.12 111.134 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -19.91 7.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.874 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -56.83 -22.47 36.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 75.15 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.5 26.89 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.745 . . . . 72.51 112.505 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 p -71.68 -33.6 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 73.33 110.836 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 m -66.73 -37.42 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.93 -40.66 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 63.35 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -82.15 -77.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.9 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -64.27 -53.97 40.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.87 -32.65 4.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.524 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.38 -42.15 63.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 63.04 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.34 -59.55 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.51 111.125 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 26' ' ' VAL . 70.1 m-85 -50.88 -31.37 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -52.05 -32.41 34.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.35 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.07 -34.32 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 62.44 111.139 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.9 -33.12 6.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 72.13 112.486 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 22' ' ' PHE . 90.1 t -55.71 -39.98 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 71.02 111.136 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.9 -44.67 96.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 62.42 110.82 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -68.45 -43.02 77.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 64.32 110.847 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.539 HD22 ' O ' ' A' ' 33' ' ' GLY . 11.6 mt -65.49 -26.79 68.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 65.05 110.931 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -25.34 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 73.22 111.096 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -84.02 -26.66 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.3 103.38 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 60.51 112.441 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.539 ' O ' HD22 ' A' ' 29' ' ' LEU . . . 151.89 41.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 62.35 112.497 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m120 60.88 36.5 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 71.12 110.916 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.82 -29.53 55.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 51.23 112.46 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -99.71 24.93 7.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 73.03 110.866 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.948 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.767 0.318 . . . . 61.13 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -154.02 -174.95 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 61.32 110.879 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -82.21 111.78 18.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 43.01 110.959 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.62 24.26 3.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 71.12 112.495 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.96 143.05 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 74.51 110.892 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.95 99.26 2.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 52.31 112.504 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 10' ' ' THR . 34.6 m -76.65 -32.25 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 73.21 111.088 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -82.38 -29.34 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 63.51 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.33 -35.02 55.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.22 110.835 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 7' ' ' VAL . 8.8 t -67.43 -20.24 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 33.44 111.115 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -64.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.871 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -69.39 -38.83 78.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.27 102.34 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 51.11 112.504 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -57.64 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 62.54 110.921 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -68.6 -31.48 70.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.847 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.69 -32.11 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 61.22 111.163 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.6 -74.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.3 110.868 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -54.06 -39.11 65.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.27 -42.26 55.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 74.53 112.456 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.91 69.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 75.1 110.871 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.93 -59.54 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 26' ' ' VAL . 45.1 m-85 -54.24 -29.35 46.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 63.13 110.933 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -61.82 -37.33 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.875 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.56 71.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 71.31 111.112 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.83 41.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 65.31 112.448 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 22' ' ' PHE . 89.6 t -65.68 -49.51 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 64.45 111.092 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 48.6 t-80 -57.01 -24.4 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.835 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -63.87 -47.44 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.17 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 50.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 27' ' ' HIS . . . -56.74 -47.88 79.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.53 111.091 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -92.06 -29.26 16.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.848 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.61 69.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 71.52 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.48 -142.28 4.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 62.23 112.51 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.98 78.76 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.356 . . . . 75.33 110.902 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -136.19 -134.08 3.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 74.15 112.475 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 69.45 39.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 74.12 110.884 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.91 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.3 tttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.347 . . . . 65.5 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -80.75 -75.86 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.919 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -146.95 -49.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 71.12 110.91 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.85 61.7 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 65.11 112.507 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -87.54 -166.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 70.41 110.882 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.0 -54.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 65.21 112.48 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -69.44 -23.21 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 72.02 111.136 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -79.49 -173.94 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.79 167.91 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 62.32 110.859 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -66.9 -24.28 66.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.15 111.186 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -55.37 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.911 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.7 t -63.73 -26.63 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 113.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 53.02 112.484 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -62.24 -62.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 72.24 110.84 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 53.25 110.885 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.33 -25.24 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.33 111.14 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -69.84 -53.23 19.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -51.87 -45.18 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 73.54 110.914 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.79 -29.91 62.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 73.23 112.465 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.25 -35.58 73.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 71.34 110.87 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -58.34 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.067 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.6 m-85 -66.0 -30.26 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.845 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -60.1 -34.02 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 60.2 110.855 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -41.45 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 53.22 111.099 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.37 -39.12 57.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.737 . . . . 72.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 22' ' ' PHE . 58.0 t -55.7 -37.39 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 75.13 111.141 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -64.18 -46.01 85.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 70.22 110.812 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.99 -38.5 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.888 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 26' ' ' VAL . 10.0 mt -66.47 -43.33 85.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.937 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.27 63.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.101 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -85.1 -27.63 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.85 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.82 85.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 63.01 112.522 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.24 -118.2 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.746 . . . . 55.23 112.532 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -146.71 101.32 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 55.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.87 57.2 0.72 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 72.43 112.504 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.7 t80 69.89 75.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 74.21 110.879 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 m95 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.915 -179.967 . . . . . . . . 0 0 . 1 stop_ save_