data_2m3k_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 2m3k _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 full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.792 0.329 . . . . 6.0 110.726 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -69.43 -27.89 65.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 2.7799999999999998 111.699 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.08 -39.41 86.81 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.932 -0.396 . . . . 2.3799999999999999 109.932 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.82 -45.82 74.47 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.607 -0.724 . . . . 0.62 110.548 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . 44.8 mt-10 -52.82 -59.32 4.64 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.699 -0.682 . . . . 0.83999999999999997 110.443 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -66.84 -35.37 79.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.883 -0.599 . . . . 3.1200000000000001 111.063 -172.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.78 -49.83 49.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.053 0.454 . . . . 1.0900000000000001 110.821 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -66.9 -42.74 84.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.643 -0.708 . . . . 1.4399999999999999 110.495 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.727 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 68.4 mt -54.9 -53.09 36.79 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 N-CA-C 109.977 -0.379 . . . . 1.03 109.977 175.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.19 -40.7 77.88 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.453 0.47 . . . . 1.79 111.681 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.37 -61.87 2.26 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.439 0.638 . . . . 1.0800000000000001 111.784 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 HG12 ' CD1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -73.52 -24.11 19.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.046 -0.662 . . . . 1.0600000000000001 109.845 -179.312 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.727 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 3.7 ttp85 -66.03 -23.66 66.6 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.94 -0.393 . . . . 2.8100000000000001 109.94 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 17' ' ' LEU . . . -63.71 -42.4 97.96 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.602 0.715 . . . . 1.0600000000000001 109.384 171.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.699 ' O ' ' HB2' ' A' ' 18' ' ' GLU . . . -65.09 -39.36 93.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.589 -0.732 . . . . 1.0600000000000001 110.197 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.549 HD21 ' HB1' ' A' ' 71' ' ' ALA . 4.4 mm? -69.04 -17.11 63.85 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.204 -0.31 . . . . 1.22 111.232 173.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -65.82 -32.78 74.5 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.625 -0.509 . . . . 2.1600000000000001 109.625 171.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.699 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -57.13 -42.77 81.53 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.93 -0.767 . . . . 1.21 108.93 167.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.665 ' O ' ' HG2' ' A' ' 23' ' ' MET . 1.6 m-20 -72.18 -20.4 61.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.127 -0.942 . . . . 2.6099999999999999 110.917 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HA ' ' HG2' ' A' ' 23' ' ' MET . . . -72.06 -28.84 63.6 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.3 -0.63 . . . . 1.0600000000000001 109.3 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.534 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 32.9 m-70 -79.8 -36.04 37.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.496 -0.775 . . . . 1.3600000000000001 109.998 173.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.715 ' CD1' ' HG ' ' A' ' 43' ' ' LEU . 29.4 t80 -62.09 -52.43 63.94 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.48 0.657 . . . . 1.97 109.709 176.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.717 ' SD ' ' HA ' ' A' ' 89' ' ' LEU . 7.5 ptp -65.92 -24.37 66.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.7 -0.682 . . . . 1.3400000000000001 110.584 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 41.6 tt0 -66.84 -34.33 77.56 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.609 -0.515 . . . . 1.6599999999999999 109.609 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 1.7 ttpt -51.28 -46.62 62.52 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.753 -0.832 . . . . 2.8999999999999999 108.753 171.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.559 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . 28.5 t80 -60.17 -48.83 80.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.447 -0.797 . . . . 3.3700000000000001 110.679 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -54.06 -44.78 71.38 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.984 0.421 . . . . 4.4800000000000004 111.09 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 63.0 mt -71.91 -28.23 63.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.935 -0.575 . . . . 2.6400000000000001 111.458 -176.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 27.4 mt-30 -80.96 -46.46 15.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 2.8599999999999999 111.085 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.59 -29.72 63.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.152 -0.476 . . . . 3.9399999999999999 110.523 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.36 74.24 0.42 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.964 -0.636 . . . . 3.4399999999999999 112.01 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 75.3 mtm180 -79.12 103.38 9.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.807 0.337 . . . . 8.5800000000000001 110.596 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -90.36 -40.09 12.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.065 0.46 . . . . 9.3699999999999992 109.836 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -128.37 124.47 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 9.1500000000000004 110.073 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -81.92 -17.24 47.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.727 -0.67 . . . . 8.3699999999999992 111.166 -172.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 t -69.18 -20.99 64.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.987 0.422 . . . . 8.4600000000000009 110.979 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -83.19 100.97 10.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.38 -0.373 . . . . 6.6200000000000001 110.964 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.6 m -90.87 144.54 25.58 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.771 -0.826 . . . . 6.3300000000000001 108.771 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -154.15 109.2 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.662 0.616 . . . . 5.6900000000000004 112.662 -164.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 39' ' ' LYS . 18.7 m95 -133.44 85.86 42.2 Favored Pre-proline 0 CA--C 1.515 -0.382 0 O-C-N 121.714 -0.616 . . . . 5.6699999999999999 110.066 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.28 132.25 8.06 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.716 2.277 . . . . 2.4900000000000002 110.311 170.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 59.6 p -126.6 128.85 47.45 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.968 -0.753 . . . . 2.3799999999999999 108.968 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.715 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 69.3 mt -80.02 110.09 14.81 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 111.967 0.358 . . . . 1.8200000000000001 111.967 -173.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.584 ' HD3' ' O ' ' A' ' 42' ' ' SER . 62.8 Cg_endo -96.44 6.5 1.72 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.953 2.435 . . . . 0.81999999999999995 112.181 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.515 HD13 ' HG2' ' A' ' 18' ' ' GLU . 1.4 mt -94.05 122.73 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.221 -0.445 . . . . 1.27 111.011 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -113.5 -26.02 8.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.879 -0.6 . . . . 1.6499999999999999 109.424 174.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 52' ' ' CYS . 4.5 tm-20 -156.8 138.16 13.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.613 -0.721 . . . . 1.8500000000000001 110.031 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.77 133.0 4.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 1.1499999999999999 110.987 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 64.33 29.69 13.54 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.815 -0.63 . . . . 0.58999999999999997 112.333 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -8.16 72.54 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.35 -0.929 . . . . 0.38 112.183 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 6.9 m-85 -106.19 166.19 10.7 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.478 -0.934 . . . . 0.25 108.478 174.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.732 ' O ' ' HA ' ' A' ' 71' ' ' ALA . 13.7 p -116.0 139.85 49.85 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.558 -0.534 . . . . 1.4199999999999999 109.558 179.186 53.035 -118.67 -64.671 103.608 2.03 102.935 -47.292 -61.833 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.582 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 2.6 mp -109.01 113.99 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 108.513 -0.921 . . . . 1.21 108.513 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -132.74 155.28 49.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.427 -0.806 . . . . 3.8300000000000001 110.513 -175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -98.79 105.93 18.13 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.227 -0.657 . . . . 2.8999999999999999 109.227 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.471 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 16.5 t-20 -152.54 149.04 28.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.84 -0.618 . . . . 3.96 110.532 -173.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.28 -118.31 2.63 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.938 -0.649 . . . . 3.9500000000000002 111.886 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.7 tt -71.56 -22.46 21.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.293 0.568 . . . . 5.0199999999999996 110.439 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -157.7 177.67 11.12 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.841 -0.618 . . . . 3.3700000000000001 110.436 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -131.26 28.93 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.637 0.732 . . . . 7.0700000000000003 109.234 176.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.3 167.96 32.28 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.117 -1.193 . . . . 4.8300000000000001 110.117 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.81 112.47 5.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.449 0.624 . . . . 3.5299999999999998 110.454 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.2 mt -127.67 -65.88 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.968 -0.56 . . . . 6.4100000000000001 110.008 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -97.59 -153.06 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.793 -0.817 . . . . 5.0999999999999996 108.793 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.1 m -82.2 -3.69 55.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.005 0.431 . . . . 5.3099999999999996 110.975 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 9.1 mptt -95.67 134.77 38.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.3 -0.409 . . . . 4.4699999999999998 110.248 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 10.2 m-85 -122.9 108.69 13.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.527 0.68 . . . . 5.5199999999999996 110.355 -177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.25 107.35 3.22 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.508 -1.224 . . . . 3.7999999999999998 111.789 -179.224 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 85' ' ' MET . 16.6 mt -128.71 110.55 12.3 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.785 -0.572 . . . . 3.04 109.766 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 93.2 mttt -130.49 128.11 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.436 0.532 . . . . 2.79 112.436 -174.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.732 ' HA ' ' O ' ' A' ' 52' ' ' CYS . . . -116.56 117.37 29.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.83 -0.623 . . . . 1.01 109.967 168.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.527 ' CG1' ' HD2' ' A' ' 109' ' ' LYS . 94.6 t -119.06 139.24 47.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.811 -0.631 . . . . 1.1100000000000001 109.943 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 79' ' ' ASN . . . -68.81 125.56 26.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.625 -0.261 . . . . 1.0900000000000001 110.368 177.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.92 -41.66 68.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 109.227 -0.657 . . . . 1.3200000000000001 109.227 173.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.66 107.08 16.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.367 -0.833 . . . . 1.8500000000000001 109.743 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -71.35 -10.93 60.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.815 0.817 . . . . 3.1000000000000001 110.712 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.19 -54.15 4.15 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.675 -0.693 . . . . 2.0099999999999998 110.446 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.501 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 6.7 tmtt? -60.81 -21.08 62.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.779 0.8 . . . . 3.3399999999999999 109.702 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 39.4 m-80 -145.24 110.32 4.64 Favored Pre-proline 0 C--N 1.317 -0.847 0 N-CA-C 107.29 -1.374 . . . . 2.2000000000000002 107.29 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -80.23 -16.99 10.66 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.112 1.875 . . . . 0.73999999999999999 114.14 -173.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 5' ' ' GLU . 23.6 p90 -114.16 175.83 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.263 0.554 . . . . 0.57999999999999996 111.945 -174.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 94' ' ' CYS . 20.0 pt -138.06 147.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.22 -0.9 . . . . 1.26 109.86 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.403 HD11 ' CG2' ' A' ' 12' ' ' VAL . 57.9 mt -114.19 109.21 27.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.177 -0.465 . . . . 1.02 110.357 -173.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.641 ' HZ1' ' N ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -114.91 139.63 49.65 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.549 -0.72 . . . . 2.0800000000000001 110.941 -177.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.501 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -112.78 122.84 48.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.45 -0.795 . . . . 1.4099999999999999 110.481 -174.006 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 24.7 t-20 -110.62 155.46 22.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.901 -1.045 . . . . 2.3399999999999999 109.239 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 87' ' ' GLU . 2.1 mp0 -59.49 -10.56 3.45 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.751 0.657 . . . . 3.2400000000000002 112.458 -173.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 1.7 t-20 -82.77 13.65 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 2.2799999999999998 110.633 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.717 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 59.68 28.29 17.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.765 -0.652 . . . . 1.71 109.519 -172.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 88' ' ' ASN . 3.6 p -109.11 142.42 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 1.21 111.292 -176.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.548 ' HB ' ' HB3' ' A' ' 118' ' ' PHE . 30.8 m -104.23 138.15 41.11 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.09 -0.959 . . . . 1.1200000000000001 110.13 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -112.42 115.47 28.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.772 -0.455 . . . . 0.82999999999999996 109.772 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 1.1 mm -100.99 108.0 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.207 -0.664 . . . . 1.29 109.207 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.524 ' O ' HG12 ' A' ' 82' ' ' ILE . 84.0 m -122.43 146.75 47.07 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 120.018 -0.673 . . . . 1.1499999999999999 110.793 -178.488 -64.346 -114.102 106.309 103.797 2.031 103.472 -59.742 -94.8 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HD3' ' HB3' ' A' ' 114' ' ' ASP . 0.3 OUTLIER -80.32 -16.55 54.33 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.277 -1.008 . . . . 2.8199999999999998 108.277 175.102 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.549 ' HD3' ' SG ' ' A' ' 115' ' ' CYS . 4.7 pttp -72.17 175.72 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.561 -1.2 . . . . 2.8100000000000001 109.687 172.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -107.42 139.19 42.3 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.984 -0.747 . . . . 2.6200000000000001 108.984 170.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.5 ' HB1' ' HE2' ' A' ' 84' ' ' LYS . . . -112.22 -1.45 15.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.763 0.316 . . . . 2.3100000000000001 111.147 -177.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.6 t -178.54 -169.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.423 -0.584 . . . . 2.1099999999999999 109.423 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.3 m -134.89 159.18 42.22 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.954 -0.566 . . . . 2.1600000000000001 110.659 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 73.0 m -99.76 112.23 24.49 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.562 -0.533 . . . . 1.5700000000000001 109.562 -173.409 -61.833 -47.292 -64.671 102.935 2.03 103.608 -118.67 53.035 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -87.28 -4.58 59.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.364 -0.834 . . . . 3.5600000000000001 110.8 -172.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.52 -26.2 63.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.417 -0.81 . . . . 5.0099999999999998 110.274 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.27 36.59 93.41 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.223 -0.899 . . . . 3.1699999999999999 111.965 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.405 ' HB3' ' H ' ' A' ' 106' ' ' ASP . 1.3 tt -49.64 -78.56 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 O-C-N 124.213 0.596 . . . . 3.4399999999999999 110.359 -177.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.405 ' H ' ' HB3' ' A' ' 105' ' ' LEU . 23.0 t70 -128.04 -46.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.306 0.574 . . . . 3.9500000000000002 111.556 175.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -136.07 160.55 38.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.403 -0.817 . . . . 6.5800000000000001 111.288 -163.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -123.13 166.13 15.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.247 -0.649 . . . . 5.8300000000000001 109.247 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.639 ' HE3' ' H ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -149.04 160.76 43.03 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.628 -0.429 . . . . 2.71 111.582 -170.165 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.84 78.4 0.1 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.982 -0.628 . . . . 2.9700000000000002 112.523 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -134.68 150.26 50.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.341 -0.244 . . . . 4.2400000000000002 110.341 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 96' ' ' LYS . 5.6 p-10 -119.73 145.48 46.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.941 -0.392 . . . . 4.2300000000000004 109.941 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.678 ' HG2' ' H ' ' A' ' 114' ' ' ASP . 29.8 ttmt -174.13 -172.62 0.72 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.422 -0.354 . . . . 2.7400000000000002 110.413 -173.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.678 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 30.0 t70 -32.97 152.53 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.432 1.893 . . . . 2.1200000000000001 115.091 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.549 ' SG ' ' HD3' ' A' ' 96' ' ' LYS . 1.3 m -131.94 165.31 24.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.698 -0.683 . . . . 1.5 110.974 175.105 -94.8 -59.742 106.309 103.472 2.031 103.797 -114.102 -64.346 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 93' ' ' ILE . 66.3 tttt -153.72 147.47 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.286 0.565 . . . . 1.6200000000000001 111.324 -175.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -99.21 121.17 40.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.311 -0.858 . . . . 1.8600000000000001 109.058 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.548 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 52.8 t80 -116.94 94.48 4.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.034 0.445 . . . . 1.97 110.996 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.308 -0.854 . . . . 1.8500000000000001 110.177 175.93 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.792 0.329 . . . . 5.54 110.726 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -69.43 -27.89 65.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 2.51 111.699 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.08 -39.41 86.81 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.932 -0.396 . . . . 2.38 109.932 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.82 -45.82 74.47 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.607 -0.724 . . . . 0.51 110.548 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.427 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . 44.8 mt-10 -52.82 -59.32 4.64 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.699 -0.682 . . . . 0.84 110.443 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -66.84 -35.37 79.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.883 -0.599 . . . . 2.63 111.063 -172.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.78 -49.83 49.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.053 0.454 . . . . 0.29 110.821 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -66.9 -42.74 84.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.643 -0.708 . . . . 0.9 110.495 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.737 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 68.4 mt -54.9 -53.09 36.79 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 N-CA-C 109.977 -0.379 . . . . 0.15 109.977 175.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.19 -40.7 77.88 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.453 0.47 . . . . 1.12 111.681 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.37 -61.87 2.26 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.439 0.638 . . . . 0.24 111.784 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -73.52 -24.11 19.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.046 -0.662 . . . . 0.19 109.845 -179.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.737 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 3.7 ttp85 -66.03 -23.66 66.6 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.94 -0.393 . . . . 2.22 109.94 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 17' ' ' LEU . . . -63.71 -42.4 97.96 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.19 109.384 171.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' A' ' 18' ' ' GLU . . . -65.09 -39.36 93.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.589 -0.732 . . . . 0.27 110.197 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 71' ' ' ALA . 4.4 mm? -69.04 -17.11 63.85 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.204 -0.31 . . . . 0.52 111.232 173.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -65.82 -32.78 74.5 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.625 -0.509 . . . . 1.54 109.625 171.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.705 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -57.13 -42.77 81.53 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.93 -0.767 . . . . 1.11 108.93 167.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.648 ' O ' ' HG2' ' A' ' 23' ' ' MET . 1.6 m-20 -72.18 -20.4 61.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.127 -0.942 . . . . 2.2 110.917 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 23' ' ' MET . . . -72.06 -28.84 63.6 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.3 -0.63 . . . . 0.41 109.3 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -79.8 -36.04 37.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.496 -0.775 . . . . 1.09 109.998 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.725 ' CD1' ' HG ' ' A' ' 43' ' ' LEU . 29.4 t80 -62.09 -52.43 63.94 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.48 0.657 . . . . 1.41 109.709 176.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.728 ' SD ' ' HA ' ' A' ' 89' ' ' LEU . 7.5 ptp -65.92 -24.37 66.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.7 -0.682 . . . . 0.88 110.584 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 41.6 tt0 -66.84 -34.33 77.56 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.609 -0.515 . . . . 1.64 109.609 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 1.7 ttpt -51.28 -46.62 62.52 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.753 -0.832 . . . . 2.45 108.753 171.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . 28.5 t80 -60.17 -48.83 80.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.447 -0.797 . . . . 2.93 110.679 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -54.06 -44.78 71.38 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.984 0.421 . . . . 4.39 111.09 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 63.0 mt -71.91 -28.23 63.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.935 -0.575 . . . . 2.11 111.458 -176.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 96.3 mt-30 -80.96 -46.46 15.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 2.5 111.085 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -72.59 -29.72 63.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.152 -0.476 . . . . 3.58 110.523 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.36 74.24 0.42 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.964 -0.636 . . . . 3.44 112.01 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 75.3 mtm180 -79.12 103.38 9.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.807 0.337 . . . . 7.82 110.596 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -90.36 -40.09 12.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.065 0.46 . . . . 8.54 109.836 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -128.37 124.47 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 8.91 110.073 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -81.92 -17.24 47.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.727 -0.67 . . . . 8.06 111.166 -172.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 t -69.18 -20.99 64.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.987 0.422 . . . . 8.06 110.979 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -83.19 100.97 10.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.38 -0.373 . . . . 6.54 110.964 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.6 m -90.87 144.54 25.58 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.771 -0.826 . . . . 6.31 108.771 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -154.15 109.2 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.662 0.616 . . . . 5.37 112.662 -164.343 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 39' ' ' LYS . 18.7 m95 -133.44 85.86 42.2 Favored Pre-proline 0 CA--C 1.515 -0.382 0 O-C-N 121.714 -0.616 . . . . 5.17 110.066 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.28 132.25 8.06 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.716 2.277 . . . . 2.34 110.311 170.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 59.6 p -126.6 128.85 47.45 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.968 -0.753 . . . . 1.97 108.968 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.725 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 69.3 mt -80.02 110.09 14.81 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 111.967 0.358 . . . . 1.24 111.967 -173.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.582 ' HD3' ' O ' ' A' ' 42' ' ' SER . 62.8 Cg_endo -96.44 6.5 1.72 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.953 2.435 . . . . 0.8 112.181 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 18' ' ' GLU . 1.4 mt -94.05 122.73 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.221 -0.445 . . . . 0.64 111.011 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -113.5 -26.02 8.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.879 -0.6 . . . . 1.08 109.424 174.078 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.617 ' HA ' ' HA ' ' A' ' 52' ' ' CYS . 4.5 tm-20 -156.8 138.16 13.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.613 -0.721 . . . . 1.85 110.031 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.77 133.0 4.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 0.44 110.987 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 64.33 29.69 13.54 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.815 -0.63 . . . . 0.59 112.333 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -8.16 72.54 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.35 -0.929 . . . . 0.32 112.183 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.449 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 6.9 m-85 -106.19 166.19 10.7 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.478 -0.934 . . . . 0.23 108.478 174.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.741 ' O ' ' HA ' ' A' ' 71' ' ' ALA . 13.7 p -116.0 139.85 49.85 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.558 -0.534 . . . . 1.42 109.558 179.186 53.035 -118.67 -64.671 103.608 2.03 102.935 -47.292 -61.833 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 2.6 mp -109.01 113.99 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 108.513 -0.921 . . . . 0.57 108.513 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -132.74 155.28 49.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.427 -0.806 . . . . 3.06 110.513 -175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -98.79 105.93 18.13 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.227 -0.657 . . . . 2.41 109.227 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.464 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 16.5 t-20 -152.54 149.04 28.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.84 -0.618 . . . . 3.46 110.532 -173.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.28 -118.31 2.63 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.938 -0.649 . . . . 3.58 111.886 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.7 tt -71.56 -22.46 21.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.293 0.568 . . . . 4.6 110.439 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -157.7 177.67 11.12 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.841 -0.618 . . . . 3.37 110.436 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -131.26 28.93 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.637 0.732 . . . . 6.46 109.234 176.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.3 167.96 32.28 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.117 -1.193 . . . . 4.33 110.117 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.81 112.47 5.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.449 0.624 . . . . 3.53 110.454 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.2 mt -127.67 -65.88 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.968 -0.56 . . . . 6.05 110.008 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -97.59 -153.06 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.793 -0.817 . . . . 5.1 108.793 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.422 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.1 m -82.2 -3.69 55.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.005 0.431 . . . . 5.26 110.975 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 9.1 mptt -95.67 134.77 38.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.3 -0.409 . . . . 4.09 110.248 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 10.2 m-85 -122.9 108.69 13.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.527 0.68 . . . . 4.81 110.355 -177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.25 107.35 3.22 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.508 -1.224 . . . . 2.98 111.789 -179.224 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 85' ' ' MET . 16.6 mt -128.71 110.55 12.3 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.785 -0.572 . . . . 2.59 109.766 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 93.2 mttt -130.49 128.11 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.436 0.532 . . . . 2.3 112.436 -174.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -116.56 117.37 29.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.83 -0.623 . . . . 0.48 109.967 168.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.542 ' CG1' ' HD2' ' A' ' 109' ' ' LYS . 94.6 t -119.06 139.24 47.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.811 -0.631 . . . . 0.29 109.943 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' HB1' ' HB2' ' A' ' 79' ' ' ASN . . . -68.81 125.56 26.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.625 -0.261 . . . . 0.32 110.368 177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.92 -41.66 68.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 109.227 -0.657 . . . . 0.77 109.227 173.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.66 107.08 16.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.367 -0.833 . . . . 1.85 109.743 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -71.35 -10.93 60.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.815 0.817 . . . . 2.58 110.712 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.19 -54.15 4.15 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.675 -0.693 . . . . 2.01 110.446 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.517 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 6.7 tmtt? -60.81 -21.08 62.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.779 0.8 . . . . 2.86 109.702 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.476 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 39.4 m-80 -145.24 110.32 4.64 Favored Pre-proline 0 C--N 1.317 -0.847 0 N-CA-C 107.29 -1.374 . . . . 1.65 107.29 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -80.23 -16.99 10.66 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.112 1.875 . . . . 0.74 114.14 -173.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 5' ' ' GLU . 23.6 p90 -114.16 175.83 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.263 0.554 . . . . 0.45 111.945 -174.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.645 HD12 ' HE2' ' A' ' 84' ' ' LYS . 20.0 pt -138.06 147.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.22 -0.9 . . . . 0.58 109.86 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 9' ' ' ILE . 57.9 mt -114.19 109.21 27.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.177 -0.465 . . . . 0.27 110.357 -173.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HE2' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -114.91 139.63 49.65 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.549 -0.72 . . . . 1.52 110.941 -177.454 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.548 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -112.78 122.84 48.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.45 -0.795 . . . . 0.83 110.481 -174.006 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.65 ' HB3' HG13 ' A' ' 90' ' ' VAL . 24.7 t-20 -110.62 155.46 22.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.901 -1.045 . . . . 2.02 109.239 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 87' ' ' GLU . 2.1 mp0 -59.49 -10.56 3.45 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.751 0.657 . . . . 3.24 112.458 -173.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.711 ' HB3' HG12 ' A' ' 90' ' ' VAL . 1.7 t-20 -82.77 13.65 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.62 110.633 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.728 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 59.68 28.29 17.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.765 -0.652 . . . . 1.09 109.519 -172.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 88' ' ' ASN . 3.6 p -109.11 142.42 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.52 111.292 -176.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 118' ' ' PHE . 30.8 m -104.23 138.15 41.11 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.09 -0.959 . . . . 0.44 110.13 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -112.42 115.47 28.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.772 -0.455 . . . . 0.7 109.772 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.585 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 1.1 mm -100.99 108.0 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.207 -0.664 . . . . 0.57 109.207 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.543 ' O ' HG12 ' A' ' 82' ' ' ILE . 84.0 m -122.43 146.75 47.07 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 120.018 -0.673 . . . . 0.9 110.793 -178.488 -64.346 -114.102 106.309 103.797 2.031 103.472 -59.742 -94.8 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.515 ' HD3' ' HB3' ' A' ' 114' ' ' ASP . 0.3 OUTLIER -80.32 -16.55 54.33 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.277 -1.008 . . . . 2.39 108.277 175.102 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HD3' ' SG ' ' A' ' 115' ' ' CYS . 4.7 pttp -72.17 175.72 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.561 -1.2 . . . . 2.28 109.687 172.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.411 ' HA ' HD13 ' A' ' 82' ' ' ILE . 1.8 m -107.42 139.19 42.3 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.984 -0.747 . . . . 2.53 108.984 170.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.692 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . . . -112.22 -1.45 15.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.763 0.316 . . . . 1.85 111.147 -177.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.442 ' HB2' ' HD3' ' A' ' 70' ' ' LYS . 11.6 t -178.54 -169.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.423 -0.584 . . . . 1.5 109.423 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.3 m -134.89 159.18 42.22 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.954 -0.566 . . . . 1.77 110.659 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 73.0 m -99.76 112.23 24.49 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.562 -0.533 . . . . 1.55 109.562 -173.409 -61.833 -47.292 -64.671 102.935 2.03 103.608 -118.67 53.035 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -87.28 -4.58 59.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.364 -0.834 . . . . 3.41 110.8 -172.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.52 -26.2 63.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.417 -0.81 . . . . 5.01 110.274 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.27 36.59 93.41 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.223 -0.899 . . . . 2.88 111.965 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -49.64 -78.56 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 O-C-N 124.213 0.596 . . . . 2.95 110.359 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -128.04 -46.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.306 0.574 . . . . 3.95 111.556 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -136.07 160.55 38.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.403 -0.817 . . . . 6.38 111.288 -163.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -123.13 166.13 15.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.247 -0.649 . . . . 5.05 109.247 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.716 ' HE3' ' H ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -149.04 160.76 43.03 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.628 -0.429 . . . . 2.46 111.582 -170.165 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.84 78.4 0.1 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.982 -0.628 . . . . 2.51 112.523 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -134.68 150.26 50.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.341 -0.244 . . . . 3.73 110.341 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HB2' ' A' ' 96' ' ' LYS . 5.6 p-10 -119.73 145.48 46.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.941 -0.392 . . . . 4.23 109.941 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.736 ' HG2' ' H ' ' A' ' 114' ' ' ASP . 29.8 ttmt -174.13 -172.62 0.72 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.422 -0.354 . . . . 2.37 110.413 -173.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.736 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 30.0 t70 -32.97 152.53 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.432 1.893 . . . . 2.12 115.091 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.55 ' SG ' ' HD3' ' A' ' 96' ' ' LYS . 1.3 m -131.94 165.31 24.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.698 -0.683 . . . . 1.17 110.974 175.105 -94.8 -59.742 106.309 103.472 2.031 103.797 -114.102 -64.346 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 93' ' ' ILE . 66.3 tttt -153.72 147.47 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.286 0.565 . . . . 1.21 111.324 -175.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -99.21 121.17 40.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.311 -0.858 . . . . 1.32 109.058 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.583 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 52.8 t80 -116.94 94.48 4.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.034 0.445 . . . . 1.59 110.996 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.471 ' HG3' HG23 ' A' ' 90' ' ' VAL . 90.8 mttt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.308 -0.854 . . . . 1.79 110.177 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.792 0.329 . . . . 5.54 110.726 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -69.43 -27.89 65.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 2.51 111.699 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.08 -39.41 86.81 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.932 -0.396 . . . . 2.38 109.932 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.82 -45.82 74.47 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.607 -0.724 . . . . 0.51 110.548 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.427 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . 44.8 mt-10 -52.82 -59.32 4.64 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.699 -0.682 . . . . 0.84 110.443 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -66.84 -35.37 79.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.883 -0.599 . . . . 2.63 111.063 -172.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.78 -49.83 49.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.053 0.454 . . . . 0.29 110.821 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -66.9 -42.74 84.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.643 -0.708 . . . . 0.9 110.495 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.737 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 68.4 mt -54.9 -53.09 36.79 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 N-CA-C 109.977 -0.379 . . . . 0.15 109.977 175.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.19 -40.7 77.88 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.453 0.47 . . . . 1.12 111.681 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.37 -61.87 2.26 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.439 0.638 . . . . 0.24 111.784 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -73.52 -24.11 19.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.046 -0.662 . . . . 0.19 109.845 -179.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.737 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 3.7 ttp85 -66.03 -23.66 66.6 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 109.94 -0.393 . . . . 2.22 109.94 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 17' ' ' LEU . . . -63.71 -42.4 97.96 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.19 109.384 171.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.705 ' O ' ' HB2' ' A' ' 18' ' ' GLU . . . -65.09 -39.36 93.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.589 -0.732 . . . . 0.27 110.197 173.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 71' ' ' ALA . 4.4 mm? -69.04 -17.11 63.85 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.204 -0.31 . . . . 0.52 111.232 173.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -65.82 -32.78 74.5 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.625 -0.509 . . . . 1.54 109.625 171.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.705 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -57.13 -42.77 81.53 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.93 -0.767 . . . . 1.11 108.93 167.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.648 ' O ' ' HG2' ' A' ' 23' ' ' MET . 1.6 m-20 -72.18 -20.4 61.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.127 -0.942 . . . . 2.2 110.917 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 23' ' ' MET . . . -72.06 -28.84 63.6 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.3 -0.63 . . . . 0.41 109.3 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.533 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 32.9 m-70 -79.8 -36.04 37.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.496 -0.775 . . . . 1.09 109.998 173.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.725 ' CD1' ' HG ' ' A' ' 43' ' ' LEU . 29.4 t80 -62.09 -52.43 63.94 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.48 0.657 . . . . 1.41 109.709 176.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.728 ' SD ' ' HA ' ' A' ' 89' ' ' LEU . 7.5 ptp -65.92 -24.37 66.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.7 -0.682 . . . . 0.88 110.584 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 41.6 tt0 -66.84 -34.33 77.56 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.609 -0.515 . . . . 1.64 109.609 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 1.7 ttpt -51.28 -46.62 62.52 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.753 -0.832 . . . . 2.45 108.753 171.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . 28.5 t80 -60.17 -48.83 80.07 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.447 -0.797 . . . . 2.93 110.679 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -54.06 -44.78 71.38 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.984 0.421 . . . . 4.39 111.09 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 63.0 mt -71.91 -28.23 63.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.935 -0.575 . . . . 2.11 111.458 -176.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 27.4 mt-30 -80.96 -46.46 15.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 2.5 111.085 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.59 -29.72 63.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.152 -0.476 . . . . 3.58 110.523 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.36 74.24 0.42 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.964 -0.636 . . . . 3.44 112.01 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 75.3 mtm180 -79.12 103.38 9.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.807 0.337 . . . . 7.82 110.596 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -90.36 -40.09 12.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.065 0.46 . . . . 8.54 109.836 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -128.37 124.47 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 8.91 110.073 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -81.92 -17.24 47.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.727 -0.67 . . . . 8.06 111.166 -172.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.3 t -69.18 -20.99 64.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.987 0.422 . . . . 8.06 110.979 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -83.19 100.97 10.91 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.38 -0.373 . . . . 6.54 110.964 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.6 m -90.87 144.54 25.58 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.771 -0.826 . . . . 6.31 108.771 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -154.15 109.2 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.662 0.616 . . . . 5.37 112.662 -164.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 39' ' ' LYS . 18.7 m95 -133.44 85.86 42.2 Favored Pre-proline 0 CA--C 1.515 -0.382 0 O-C-N 121.714 -0.616 . . . . 5.17 110.066 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -81.28 132.25 8.06 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.716 2.277 . . . . 2.34 110.311 170.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 59.6 p -126.6 128.85 47.45 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.968 -0.753 . . . . 1.97 108.968 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.725 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 69.3 mt -80.02 110.09 14.81 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 111.967 0.358 . . . . 1.24 111.967 -173.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.582 ' HD3' ' O ' ' A' ' 42' ' ' SER . 62.8 Cg_endo -96.44 6.5 1.72 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.953 2.435 . . . . 0.8 112.181 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.578 HD11 ' HG2' ' A' ' 18' ' ' GLU . 1.4 mt -94.05 122.73 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.221 -0.445 . . . . 0.64 111.011 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -113.5 -26.02 8.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.879 -0.6 . . . . 1.08 109.424 174.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.617 ' HA ' ' HA ' ' A' ' 52' ' ' CYS . 4.5 tm-20 -156.8 138.16 13.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.613 -0.721 . . . . 1.85 110.031 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.77 133.0 4.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 0.44 110.987 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 64.33 29.69 13.54 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.815 -0.63 . . . . 0.59 112.333 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.33 -8.16 72.54 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.35 -0.929 . . . . 0.32 112.183 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.449 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 6.9 m-85 -106.19 166.19 10.7 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.478 -0.934 . . . . 0.23 108.478 174.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.741 ' O ' ' HA ' ' A' ' 71' ' ' ALA . 13.7 p -116.0 139.85 49.85 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.558 -0.534 . . . . 1.42 109.558 179.186 53.035 -118.67 -64.671 103.608 2.03 102.935 -47.292 -61.833 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 2.6 mp -109.01 113.99 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 108.513 -0.921 . . . . 0.57 108.513 175.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -132.74 155.28 49.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.427 -0.806 . . . . 3.06 110.513 -175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -98.79 105.93 18.13 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.227 -0.657 . . . . 2.41 109.227 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.464 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 16.5 t-20 -152.54 149.04 28.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.84 -0.618 . . . . 3.46 110.532 -173.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.28 -118.31 2.63 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.938 -0.649 . . . . 3.58 111.886 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.7 tt -71.56 -22.46 21.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.293 0.568 . . . . 4.6 110.439 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -157.7 177.67 11.12 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.841 -0.618 . . . . 3.37 110.436 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -131.26 28.93 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.637 0.732 . . . . 6.46 109.234 176.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.3 167.96 32.28 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.117 -1.193 . . . . 4.33 110.117 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.81 112.47 5.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.449 0.624 . . . . 3.53 110.454 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.2 mt -127.67 -65.88 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.968 -0.56 . . . . 6.05 110.008 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -97.59 -153.06 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.793 -0.817 . . . . 5.1 108.793 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.422 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.1 m -82.2 -3.69 55.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.005 0.431 . . . . 5.26 110.975 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 9.1 mptt -95.67 134.77 38.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.3 -0.409 . . . . 4.09 110.248 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 10.2 m-85 -122.9 108.69 13.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.527 0.68 . . . . 4.81 110.355 -177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.25 107.35 3.22 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.508 -1.224 . . . . 2.98 111.789 -179.224 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 85' ' ' MET . 16.6 mt -128.71 110.55 12.3 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.785 -0.572 . . . . 2.59 109.766 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 93.2 mttt -130.49 128.11 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.436 0.532 . . . . 2.3 112.436 -174.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.918 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -116.56 117.37 29.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.83 -0.623 . . . . 0.48 109.967 168.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.542 ' CG1' ' HD2' ' A' ' 109' ' ' LYS . 94.6 t -119.06 139.24 47.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.811 -0.631 . . . . 0.29 109.943 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' HB1' ' HB2' ' A' ' 79' ' ' ASN . . . -68.81 125.56 26.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.625 -0.261 . . . . 0.32 110.368 177.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.92 -41.66 68.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 N-CA-C 109.227 -0.657 . . . . 0.77 109.227 173.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.66 107.08 16.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.367 -0.833 . . . . 1.85 109.743 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -71.35 -10.93 60.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.815 0.817 . . . . 2.58 110.712 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.19 -54.15 4.15 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.675 -0.693 . . . . 2.01 110.446 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.517 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 6.7 tmtt? -60.81 -21.08 62.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.779 0.8 . . . . 2.86 109.702 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.476 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 39.4 m-80 -145.24 110.32 4.64 Favored Pre-proline 0 C--N 1.317 -0.847 0 N-CA-C 107.29 -1.374 . . . . 1.65 107.29 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -80.23 -16.99 10.66 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.112 1.875 . . . . 0.74 114.14 -173.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 5' ' ' GLU . 23.6 p90 -114.16 175.83 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.263 0.554 . . . . 0.45 111.945 -174.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.645 HD12 ' HE2' ' A' ' 84' ' ' LYS . 20.0 pt -138.06 147.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.22 -0.9 . . . . 0.58 109.86 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 9' ' ' ILE . 57.9 mt -114.19 109.21 27.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.177 -0.465 . . . . 0.27 110.357 -173.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HE2' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -114.91 139.63 49.65 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.549 -0.72 . . . . 1.52 110.941 -177.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.548 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -112.78 122.84 48.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.45 -0.795 . . . . 0.83 110.481 -174.006 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.65 ' HB3' HG13 ' A' ' 90' ' ' VAL . 24.7 t-20 -110.62 155.46 22.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.901 -1.045 . . . . 2.02 109.239 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 87' ' ' GLU . 2.1 mp0 -59.49 -10.56 3.45 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.751 0.657 . . . . 3.24 112.458 -173.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.711 ' HB3' HG12 ' A' ' 90' ' ' VAL . 1.7 t-20 -82.77 13.65 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.62 110.633 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.728 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER 59.68 28.29 17.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.765 -0.652 . . . . 1.09 109.519 -172.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 88' ' ' ASN . 3.6 p -109.11 142.42 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.52 111.292 -176.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 118' ' ' PHE . 30.8 m -104.23 138.15 41.11 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.09 -0.959 . . . . 0.44 110.13 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -112.42 115.47 28.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.772 -0.455 . . . . 0.7 109.772 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.585 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 1.1 mm -100.99 108.0 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.207 -0.664 . . . . 0.57 109.207 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.543 ' O ' HG12 ' A' ' 82' ' ' ILE . 84.0 m -122.43 146.75 47.07 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 120.018 -0.673 . . . . 0.9 110.793 -178.488 -64.346 -114.102 106.309 103.797 2.031 103.472 -59.742 -94.8 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.515 ' HD3' ' HB3' ' A' ' 114' ' ' ASP . 0.3 OUTLIER -80.32 -16.55 54.33 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.277 -1.008 . . . . 2.39 108.277 175.102 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HD3' ' SG ' ' A' ' 115' ' ' CYS . 4.7 pttp -72.17 175.72 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.561 -1.2 . . . . 2.28 109.687 172.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.411 ' HA ' HD13 ' A' ' 82' ' ' ILE . 1.8 m -107.42 139.19 42.3 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.984 -0.747 . . . . 2.53 108.984 170.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.692 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . . . -112.22 -1.45 15.2 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.763 0.316 . . . . 1.85 111.147 -177.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.442 ' HB2' ' HD3' ' A' ' 70' ' ' LYS . 11.6 t -178.54 -169.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.423 -0.584 . . . . 1.5 109.423 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.3 m -134.89 159.18 42.22 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.954 -0.566 . . . . 1.77 110.659 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 73.0 m -99.76 112.23 24.49 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.562 -0.533 . . . . 1.55 109.562 -173.409 -61.833 -47.292 -64.671 102.935 2.03 103.608 -118.67 53.035 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -87.28 -4.58 59.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.364 -0.834 . . . . 3.41 110.8 -172.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.52 -26.2 63.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.417 -0.81 . . . . 5.01 110.274 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.27 36.59 93.41 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.223 -0.899 . . . . 2.88 111.965 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -49.64 -78.56 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 O-C-N 124.213 0.596 . . . . 2.95 110.359 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -128.04 -46.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.306 0.574 . . . . 3.95 111.556 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -136.07 160.55 38.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.403 -0.817 . . . . 6.38 111.288 -163.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -123.13 166.13 15.7 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.247 -0.649 . . . . 5.05 109.247 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.716 ' HE3' ' H ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -149.04 160.76 43.03 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.628 -0.429 . . . . 2.46 111.582 -170.165 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.84 78.4 0.1 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.982 -0.628 . . . . 2.51 112.523 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -134.68 150.26 50.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.341 -0.244 . . . . 3.73 110.341 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HB2' ' A' ' 96' ' ' LYS . 5.6 p-10 -119.73 145.48 46.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.941 -0.392 . . . . 4.23 109.941 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.736 ' HG2' ' H ' ' A' ' 114' ' ' ASP . 29.8 ttmt -174.13 -172.62 0.72 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.422 -0.354 . . . . 2.37 110.413 -173.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.736 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 30.0 t70 -32.97 152.53 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.432 1.893 . . . . 2.12 115.091 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.55 ' SG ' ' HD3' ' A' ' 96' ' ' LYS . 1.3 m -131.94 165.31 24.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.698 -0.683 . . . . 1.17 110.974 175.105 -94.8 -59.742 106.309 103.472 2.031 103.797 -114.102 -64.346 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 93' ' ' ILE . 66.3 tttt -153.72 147.47 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.286 0.565 . . . . 1.21 111.324 -175.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -99.21 121.17 40.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.311 -0.858 . . . . 1.32 109.058 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.583 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 52.8 t80 -116.94 94.48 4.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.034 0.445 . . . . 1.59 110.996 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.471 ' HG3' HG23 ' A' ' 90' ' ' VAL . 90.8 mttt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.308 -0.854 . . . . 1.79 110.177 175.93 . . . . . . . . 1 1 . 1 stop_ save_