data_2nd4_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 2nd4 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.001 0 CA-C-O 120.887 0.159 . . . . 7.66 112.724 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.79 90.31 8.25 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 122.671 0.388 . . . . 10.55 110.555 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 66.3 t30 171.01 106.69 0.05 OUTLIER Pre-proline 0 CA--C 1.505 -0.777 0 N-CA-C 107.093 -1.447 . . . . 11.7 107.093 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' O ' ' A' ' 20' ' ' SER . 3.5 Cg_endo -78.18 63.43 8.27 Favored 'Trans proline' 0 N--CA 1.443 -1.476 0 C-N-CA 122.006 1.804 . . . . 9.12 112.519 -172.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.9 m -74.18 -19.2 60.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.894 -1.048 . . . . 10.4 109.718 172.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.73 -37.14 0.16 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.036 -0.983 . . . . 11.86 109.699 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 1.6 m -137.19 138.77 40.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.809 -0.632 . . . . 9.19 110.193 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.14 -3.05 30.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.236 0.541 . . . . 10.0 109.852 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HE1' ' A' ' 28' ' ' TYR . 20.8 tt0 73.59 10.32 4.87 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 114.922 -1.036 . . . . 6.77 110.16 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -145.57 70.23 1.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.901 -1.045 . . . . 6.8 108.67 170.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.407 HG23 ' HB2' ' A' ' 28' ' ' TYR . 14.6 tt -151.3 155.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.613 -0.721 . . . . 6.34 109.67 -174.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -93.9 127.42 39.65 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.39 -0.226 . . . . 7.04 110.39 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 142' ' ' LYS . 56.9 mtmt 69.73 134.76 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.12 0.887 . . . . 4.99 111.604 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HD2' ' OD1' ' A' ' 139' ' ' ASP . 27.5 mmtp 55.73 68.68 0.83 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.622 -0.717 . . . . 5.24 109.075 -172.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 2.5 t80 -144.92 131.45 19.82 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.216 -0.902 . . . . 5.61 111.969 -168.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.507 HG11 ' HB2' ' A' ' 20' ' ' SER . 5.7 p -90.94 131.8 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 107.671 -1.233 . . . . 3.19 107.671 173.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . 21.8 t -61.85 149.35 40.51 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.868 0.842 . . . . 3.49 112.012 -169.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.444 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 60.9 t90 -64.61 -16.68 63.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.53 -1.668 . . . . 4.98 109.659 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.589 ' HD3' ' N ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -54.6 -30.84 55.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.642 -1.163 . . . . 3.5 111.624 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.589 ' N ' ' HD3' ' A' ' 32' ' ' ARG . 2.9 t70 -53.2 -49.68 66.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.567 -0.742 . . . . 2.48 109.651 174.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.6 -50.57 35.81 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.919 -1.037 . . . . 3.03 111.748 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.444 ' HB2' ' CZ3' ' A' ' 31' ' ' TRP . . . -73.08 -58.81 3.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.724 1.009 . . . . 3.37 113.724 -169.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.95 -35.21 80.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.472 -0.331 . . . . 2.92 111.63 -167.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -65.64 -44.08 87.54 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.79 -0.364 . . . . 2.07 110.382 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -68.66 -26.5 65.35 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.538 0.685 . . . . 1.54 111.143 176.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.413 ' HA ' HD11 ' A' ' 104' ' ' ILE . 8.9 t30 -71.54 -45.15 63.13 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.367 -0.833 . . . . 3.09 110.184 -172.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.3 m -56.9 -30.93 64.38 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.875 -1.057 . . . . 2.84 110.078 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.58 -53.93 8.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.258 0.551 . . . . 2.3 110.826 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 38' ' ' ALA . 5.9 m -60.4 -31.36 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.301 -0.863 . . . . 2.26 110.817 -175.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . . . -67.07 -19.38 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 2.96 111.973 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.23 67.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.703 0.763 . . . . 3.29 109.723 174.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.68 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 7.6 p-80 -135.0 52.75 2.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.761 -1.109 . . . . 2.9 109.169 175.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 30.2 tt0 -71.45 -34.91 70.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.35 -0.841 . . . . 2.78 111.561 -175.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.54 -35.06 79.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.967 -0.56 . . . . 2.88 111.348 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' A' ' 45' ' ' HIS . 7.3 pt-20 -68.71 -29.22 67.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.397 . . . . 3.24 110.439 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.441 HD11 ' HB ' ' A' ' 42' ' ' VAL . 80.1 mt -63.9 -48.61 85.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.671 -0.695 . . . . 1.94 110.383 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -65.5 -33.23 75.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 3.22 110.259 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.11 -34.93 70.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 3.14 111.312 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.47 -27.77 69.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.974 0.416 . . . . 2.32 110.416 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.56 -32.42 73.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.45 111.066 177.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.576 HD11 ' OE1' ' A' ' 63' ' ' GLN . 1.7 mm? -78.41 -5.28 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 1.95 110.825 -177.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -117.05 4.15 12.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.494 -0.558 . . . . 4.34 109.494 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -84.22 123.07 75.62 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.445 -0.798 . . . . 3.0 110.057 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.61 -26.53 17.15 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.633 2.888 . . . . 3.26 113.871 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.88 -52.01 4.54 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.465 -0.874 . . . . 2.58 112.977 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 t -73.17 -31.25 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 117.135 0.468 . . . . 1.89 111.99 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.679 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 19.1 m -56.02 -34.95 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.712 0.291 . . . . 2.72 111.563 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.3 53.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.84 -0.618 . . . . 2.49 111.89 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.54 60.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.63 0.252 . . . . 1.46 110.392 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.576 ' OE1' HD11 ' A' ' 54' ' ' LEU . 19.2 mt-30 -57.99 -44.58 87.25 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.638 0.732 . . . . 2.34 110.001 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 60' ' ' VAL . 74.7 mm-40 -60.0 -39.64 86.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.04 -1.436 . . . . 3.8 111.013 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.95 -28.95 55.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.034 -0.53 . . . . 1.81 111.063 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 66' ' ' LEU . 3.7 tt -62.28 -42.56 99.45 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.655 -0.498 . . . . 1.67 109.655 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.98 -37.8 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 2.51 110.624 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -66.98 -45.08 78.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.629 . . . . 4.32 110.745 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 72' ' ' ILE . . . -69.67 -34.54 74.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.248 0.547 . . . . 1.45 110.73 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.47 -18.6 62.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.783 -0.644 . . . . 2.84 110.601 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.43 -17.61 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 2.72 110.958 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 69' ' ' ALA . 1.7 mp -63.96 125.71 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.255 -0.646 . . . . 2.22 109.255 177.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -103.98 158.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.755 0.312 . . . . 3.98 111.022 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.21 -167.4 21.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.06 -0.59 . . . . 3.31 111.663 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -72.74 -20.97 61.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.303 -0.628 . . . . 4.1 109.303 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.65 -16.23 64.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 2.71 110.649 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.532 ' O ' HG23 ' A' ' 81' ' ' VAL . 61.2 t60 -54.88 -63.91 1.0 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.997 -0.547 . . . . 3.17 110.702 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' HA ' HG23 ' A' ' 81' ' ' VAL . 8.1 pt-20 -60.85 -34.76 75.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 4.0 111.573 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.12 -43.26 87.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.0 0.429 . . . . 3.99 110.703 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.35 -49.91 44.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.694 -0.685 . . . . 1.91 111.174 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 77' ' ' HIS . 33.4 m -70.87 -27.58 30.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 2.65 111.961 -175.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.519 ' O ' ' HE3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -48.88 -53.56 18.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.191 0.519 . . . . 4.31 110.79 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -72.85 -51.36 19.08 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.909 -0.587 . . . . 6.26 111.285 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.83 -52.54 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.563 0.949 . . . . 1.83 113.563 -171.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.62 -34.09 76.28 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 110.188 -0.301 . . . . 3.07 110.188 -170.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.36 -51.89 67.57 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.817 -0.629 . . . . 3.78 110.714 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -55.14 -46.19 75.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.877 -0.601 . . . . 2.73 111.658 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.7 -56.53 15.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.586 -0.279 . . . . 1.78 110.443 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.474 ' HA ' ' CE2' ' A' ' 92' ' ' TYR . 27.6 t-20 -50.59 -42.73 56.16 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.821 0.343 . . . . 2.77 111.277 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.2 m -68.99 -34.27 75.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.139 -0.482 . . . . 2.93 111.115 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.49 76.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.602 -0.272 . . . . 1.99 111.557 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.474 ' CE2' ' HA ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -73.14 -39.96 65.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.984 0.421 . . . . 2.08 110.047 -178.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 96' ' ' TYR . 47.3 t30 -65.6 -49.5 68.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.815 -0.629 . . . . 3.07 110.439 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.33 -30.69 71.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.122 0.486 . . . . 3.61 110.031 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HA ' ' HB ' ' A' ' 98' ' ' THR . . . -61.4 -25.86 67.47 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.819 -0.628 . . . . 1.65 111.914 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.475 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -57.23 -45.71 83.65 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 108.916 -0.772 . . . . 3.68 108.916 174.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -68.32 -46.8 69.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.954 -0.566 . . . . 3.34 110.302 175.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.46 ' HB ' ' HA ' ' A' ' 95' ' ' ALA . 86.3 m -56.9 -57.95 10.27 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.752 -0.658 . . . . 2.76 111.834 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.66 -30.9 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.204 -0.453 . . . . 1.79 110.225 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.515 ' O ' HD12 ' A' ' 104' ' ' ILE . 51.0 ttp180 -64.82 -45.6 85.51 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.759 0.314 . . . . 3.57 110.436 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -59.82 -39.56 85.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.274 0.559 . . . . 4.12 110.487 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.53 -35.77 73.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.925 -0.58 . . . . 6.53 110.472 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -30.02 68.86 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.947 -0.569 . . . . 2.37 110.157 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 100' ' ' ARG . 1.1 mp -53.09 -46.61 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.12 -0.945 . . . . 2.58 109.878 172.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -65.2 -42.06 93.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.856 -0.611 . . . . 3.95 110.751 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.07 -56.83 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.853 -0.612 . . . . 3.08 111.526 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.13 -37.94 84.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.307 -0.406 . . . . 2.3 111.641 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.764 ' O ' HG12 ' A' ' 112' ' ' ILE . 1.6 tm0? -55.22 -55.59 29.52 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 123.143 0.277 . . . . 3.01 110.864 -172.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -57.64 -36.44 71.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.014 0.435 . . . . 4.4 111.189 -175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -73.6 -37.6 65.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.951 -0.568 . . . . 4.08 110.799 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -25.77 42.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.633 -0.712 . . . . 1.71 111.35 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.764 HG12 ' O ' ' A' ' 108' ' ' GLN . 24.2 mm -53.69 -48.93 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 2.83 111.55 -178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -69.08 -28.52 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.849 0.357 . . . . 3.39 111.334 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.03 -31.85 59.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.306 0.574 . . . . 2.66 110.638 176.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.0 70.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 1.61 111.97 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 126' ' ' ALA . 85.0 tttt -54.75 -43.34 72.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.288 0.367 . . . . 5.93 111.07 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.63 -20.27 54.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.679 0.276 . . . . 3.65 111.535 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -96.49 -18.75 19.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.004 0.43 . . . . 4.74 111.201 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 61.54 33.09 83.61 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 111.144 -0.782 . . . . 1.7 111.144 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -67.42 -77.5 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.797 0.332 . . . . 2.66 111.536 -171.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.703 ' CE2' ' HB2' ' A' ' 123' ' ' ASP . 9.0 p90 -95.29 159.07 15.18 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.737 -0.838 . . . . 3.1 108.737 176.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -90.22 115.65 27.6 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.276 0.56 . . . . 4.75 110.543 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.703 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 8.2 t70 -137.1 142.56 42.33 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 115.459 -0.791 . . . . 6.07 110.927 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.541 ' HB2' ' N ' ' A' ' 130' ' ' ASN . 20.5 tt0 -85.37 -10.8 55.84 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.647 -0.706 . . . . 8.29 111.15 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 m -111.46 29.61 7.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.344 0.593 . . . . 7.85 110.661 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 116' ' ' LYS . . . -172.98 -64.11 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.887 -0.597 . . . . 6.15 111.945 -175.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 121' ' ' TYR . 48.2 t -91.95 -73.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.335 -0.393 . . . . 3.51 111.801 -171.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -141.83 -87.85 0.16 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.364 -0.38 . . . . 4.61 111.582 -173.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -124.84 160.61 28.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 4.87 110.089 -176.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.541 ' N ' ' HB2' ' A' ' 124' ' ' GLU . 8.0 p30 -72.55 -43.14 63.89 Favored 'General case' 0 CA--C 1.509 -0.608 0 C-N-CA 120.251 -0.58 . . . . 7.0 111.553 -173.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -129.34 135.46 48.76 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.87 0.843 . . . . 5.08 111.591 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.3 p -81.6 178.92 8.06 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.484 -1.235 . . . . 3.84 109.421 169.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.599 ' O ' HG13 ' A' ' 137' ' ' ILE . 48.9 t30 -55.6 -46.72 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.002 -0.369 . . . . 2.83 110.002 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.12 -53.42 56.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.209 0.528 . . . . 3.06 110.445 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -62.1 -36.26 81.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.6 -0.727 . . . . 4.29 111.424 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -62.22 -39.76 93.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.985 -0.552 . . . . 3.98 110.514 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.662 ' O ' HG13 ' A' ' 141' ' ' ILE . 97.8 mt -61.26 -37.35 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 2.0 110.324 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.479 ' HB2' HG12 ' A' ' 151' ' ' VAL . . . -54.28 -43.89 71.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.912 0.387 . . . . 1.59 110.229 175.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.421 ' HA ' ' H ' ' A' ' 28' ' ' TYR . 5.8 t70 -64.88 -48.92 72.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.277 -0.874 . . . . 3.45 110.13 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -63.75 -33.2 75.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.501 -0.772 . . . . 2.8 112.477 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 137' ' ' ILE . 82.0 mt -54.67 -36.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 2.78 111.688 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.566 ' CE ' ' HA ' ' A' ' 148' ' ' ASP . 9.7 mptt -72.11 -27.59 62.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.973 0.416 . . . . 3.29 110.392 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.08 -32.29 63.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.086 0.469 . . . . 4.17 110.29 172.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.406 ' NE2' ' HB ' ' A' ' 179' ' ' VAL . 22.4 mt-30 -73.81 -54.9 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.484 -0.78 . . . . 4.52 111.342 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.43 ' OG1' ' HG2' ' A' ' 147' ' ' LYS . 23.3 p -115.35 -34.55 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.995 0.369 . . . . 4.23 111.995 -175.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 142' ' ' LYS . . . 107.39 -11.55 39.65 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.737 -0.744 . . . . 4.05 112.367 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.43 ' HG2' ' OG1' ' A' ' 145' ' ' THR . 19.1 ptpt -84.83 137.28 33.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 4.6 110.887 -177.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.566 ' HA ' ' CE ' ' A' ' 142' ' ' LYS . 18.7 m-20 -86.82 77.62 9.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.575 0.702 . . . . 3.09 110.434 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 16.1 m -111.71 -177.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.231 -0.895 . . . . 3.08 111.216 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 77.2 p -108.31 157.69 18.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 3.03 111.255 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 138' ' ' ALA . 7.4 p -133.16 138.75 50.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.859 -0.793 . . . . 2.42 108.859 176.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.3 p -145.58 135.69 23.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.606 0.241 . . . . 3.84 111.23 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -76.03 113.62 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.796 -0.446 . . . . 4.04 109.796 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -172.74 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.292 -0.413 . . . . 5.12 111.284 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -56.88 -38.01 72.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.922 -0.581 . . . . 7.4 111.337 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -82.87 -9.2 59.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.473 . . . . 6.21 111.652 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 96.69 9.78 56.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.534 -0.841 . . . . 4.38 112.653 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -93.56 147.22 23.18 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.671 -0.492 . . . . 4.67 109.671 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' TYR . . . . . 0.413 ' O ' HG11 ' A' ' 172' ' ' VAL . 30.1 m-85 -91.79 96.18 10.27 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.582 -0.525 . . . . 3.01 109.582 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.5 m -82.66 129.6 37.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.283 0.563 . . . . 4.84 110.891 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 58.5 t -93.4 110.09 22.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.472 -0.785 . . . . 3.87 110.098 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.632 ' HA ' ' HA ' ' A' ' 168' ' ' VAL . 34.1 ttmt -106.07 130.49 53.97 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-O 121.78 0.8 . . . . 6.0 111.366 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -79.68 157.34 27.24 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.557 -1.201 . . . . 4.5 108.83 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.74 -12.07 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 4.57 111.894 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -19.28 65.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.904 0.383 . . . . 6.58 110.294 173.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 104.29 7.79 39.65 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.943 -0.646 . . . . 5.84 112.691 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -118.45 135.98 54.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.614 -0.345 . . . . 7.25 110.867 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.632 ' HA ' ' HA ' ' A' ' 162' ' ' LYS . 0.8 OUTLIER -73.75 111.16 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.545 0.688 . . . . 5.85 110.877 176.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 19.6 m -90.07 -25.66 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.028 -0.987 . . . . 5.43 111.551 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -148.68 171.79 15.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.471 -0.331 . . . . 4.8 110.62 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 25.0 m -141.41 137.04 31.97 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.465 -0.568 . . . . 4.74 109.465 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' A' ' 178' ' ' THR . 0.3 OUTLIER -113.15 144.69 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.04 0.448 . . . . 3.27 110.649 178.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASP . . . . . 0.624 ' H ' ' HB ' ' A' ' 178' ' ' THR . 13.6 t70 -98.64 -163.55 1.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.555 -0.748 . . . . 4.51 110.335 -177.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.49 ' H ' ' CG ' ' A' ' 173' ' ' ASP . 17.1 pttm -57.59 -25.57 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 5.04 111.851 -173.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.54 -18.69 63.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 4.13 111.45 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 69.01 2.17 29.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.106 -0.569 . . . . 2.47 113.748 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . 0.578 ' O ' ' HD2' ' A' ' 184' ' ' LYS . 14.4 mmmm -122.78 -17.33 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.519 . . . . 4.51 109.743 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.624 ' HB ' ' H ' ' A' ' 173' ' ' ASP . 5.0 m -48.12 124.55 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.06 -0.973 . . . . 4.43 111.204 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' VAL . . . . . 0.406 ' HB ' ' NE2' ' A' ' 144' ' ' GLN . 7.2 p -149.72 132.09 6.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.219 0.533 . . . . 5.02 110.739 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -82.0 59.15 4.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.678 -0.692 . . . . 8.11 110.559 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -166.12 -47.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.609 -0.723 . . . . 5.9 110.118 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -90.03 -179.71 5.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.323 -0.621 . . . . 6.54 109.323 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -79.84 58.5 2.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.947 0.403 . . . . 6.32 111.326 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.578 ' HD2' ' O ' ' A' ' 177' ' ' LYS . 15.4 mtmm -144.55 83.26 1.71 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.919 -0.582 . . . . 5.89 110.398 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -99.64 151.12 21.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.997 -0.547 . . . . 8.37 110.626 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.194 -1.337 . . . . 9.36 111.484 178.593 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.001 0 CA-C-O 120.887 0.159 . . . . 7.66 112.724 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 34.8 tt0 -86.79 90.31 8.25 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 122.671 0.388 . . . . 10.55 110.555 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 66.3 t30 171.01 106.69 0.05 OUTLIER Pre-proline 0 CA--C 1.505 -0.777 0 N-CA-C 107.093 -1.447 . . . . 11.09 107.093 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HA ' ' O ' ' A' ' 20' ' ' SER . 3.5 Cg_endo -78.18 63.43 8.27 Favored 'Trans proline' 0 N--CA 1.443 -1.476 0 C-N-CA 122.006 1.804 . . . . 9.07 112.519 -172.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.9 m -74.18 -19.2 60.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.894 -1.048 . . . . 10.4 109.718 172.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.73 -37.14 0.16 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.036 -0.983 . . . . 11.52 109.699 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.582 ' HB2' HG12 ' A' ' 29' ' ' VAL . 1.6 m -137.19 138.77 40.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.809 -0.632 . . . . 9.19 110.193 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.14 -3.05 30.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.236 0.541 . . . . 9.35 109.852 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' O ' ' HE1' ' A' ' 28' ' ' TYR . 20.8 tt0 73.59 10.32 4.87 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 114.922 -1.036 . . . . 6.12 110.16 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -145.57 70.23 1.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.901 -1.045 . . . . 6.44 108.67 170.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG23 ' HB2' ' A' ' 28' ' ' TYR . 14.6 tt -151.3 155.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.613 -0.721 . . . . 5.92 109.67 -174.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -93.9 127.42 39.65 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.39 -0.226 . . . . 6.46 110.39 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 142' ' ' LYS . 56.9 mtmt 69.73 134.76 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.12 0.887 . . . . 4.57 111.604 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HD2' ' OD1' ' A' ' 139' ' ' ASP . 27.5 mmtp 55.73 68.68 0.83 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.622 -0.717 . . . . 4.89 109.075 -172.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 2.5 t80 -144.92 131.45 19.82 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.216 -0.902 . . . . 5.36 111.969 -168.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG12 ' HB2' ' A' ' 20' ' ' SER . 5.7 p -90.94 131.8 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 107.671 -1.233 . . . . 2.96 107.671 173.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . 21.8 t -61.85 149.35 40.51 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.868 0.842 . . . . 3.38 112.012 -169.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 60.9 t90 -64.61 -16.68 63.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.53 -1.668 . . . . 4.51 109.659 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.591 ' HD3' ' N ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -54.6 -30.84 55.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.642 -1.163 . . . . 3.18 111.624 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.591 ' N ' ' HD3' ' A' ' 32' ' ' ARG . 2.9 t70 -53.2 -49.68 66.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.567 -0.742 . . . . 2.33 109.651 174.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.6 -50.57 35.81 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.919 -1.037 . . . . 2.55 111.748 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 31' ' ' TRP . . . -73.08 -58.81 3.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.724 1.009 . . . . 2.83 113.724 -169.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.95 -35.21 80.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.472 -0.331 . . . . 2.92 111.63 -167.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -65.64 -44.08 87.54 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.79 -0.364 . . . . 2.07 110.382 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -68.66 -26.5 65.35 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.538 0.685 . . . . 1.21 111.143 176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.649 ' HA ' HD11 ' A' ' 104' ' ' ILE . 8.9 t30 -71.54 -45.15 63.13 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.367 -0.833 . . . . 2.68 110.184 -172.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.3 m -56.9 -30.93 64.38 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.875 -1.057 . . . . 2.49 110.078 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 38' ' ' ALA . 12.1 mt-30 -74.58 -53.93 8.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.258 0.551 . . . . 2.21 110.826 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.642 ' HB ' HD11 ' A' ' 49' ' ' ILE . 5.9 m -60.4 -31.36 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.301 -0.863 . . . . 1.7 110.817 -175.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . . . -67.07 -19.38 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 2.63 111.973 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.23 67.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.703 0.763 . . . . 3.09 109.723 174.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.691 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 7.6 p-80 -135.0 52.75 2.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.761 -1.109 . . . . 2.48 109.169 175.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 49' ' ' ILE . 30.2 tt0 -71.45 -34.91 70.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.35 -0.841 . . . . 2.78 111.561 -175.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.54 -35.06 79.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.967 -0.56 . . . . 2.53 111.348 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.691 ' HG2' ' O ' ' A' ' 45' ' ' HIS . 7.3 pt-20 -68.71 -29.22 67.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.397 . . . . 3.24 110.439 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.642 HD11 ' HB ' ' A' ' 42' ' ' VAL . 80.1 mt -63.9 -48.61 85.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.671 -0.695 . . . . 1.48 110.383 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -65.5 -33.23 75.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 2.8 110.259 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HA ' HD23 ' A' ' 54' ' ' LEU . 30.6 tt0 -58.11 -34.93 70.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 3.14 111.312 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.47 -27.77 69.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.974 0.416 . . . . 2.32 110.416 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.549 HG23 HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -67.56 -32.42 73.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.29 111.066 177.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.621 HD12 ' OE1' ' A' ' 63' ' ' GLN . 1.7 mm? -78.41 -5.28 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 1.95 110.825 -177.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -117.05 4.15 12.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.494 -0.558 . . . . 3.94 109.494 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 34.1 tt0 -84.22 123.07 75.62 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.445 -0.798 . . . . 3.0 110.057 -177.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 56' ' ' GLN . 77.4 Cg_exo -50.61 -26.53 17.15 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.633 2.888 . . . . 3.03 113.871 -175.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.88 -52.01 4.54 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.465 -0.874 . . . . 2.41 112.977 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG11 HG23 ' A' ' 53' ' ' THR . 27.8 t -73.17 -31.25 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 117.135 0.468 . . . . 1.75 111.99 -175.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.683 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 19.1 m -56.02 -34.95 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.712 0.291 . . . . 2.4 111.563 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.3 53.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.84 -0.618 . . . . 2.29 111.89 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.54 60.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.63 0.252 . . . . 1.37 110.392 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.621 ' OE1' HD12 ' A' ' 54' ' ' LEU . 19.2 mt-30 -57.99 -44.58 87.25 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.638 0.732 . . . . 2.25 110.001 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 60' ' ' VAL . 74.7 mm-40 -60.0 -39.64 86.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.04 -1.436 . . . . 3.45 111.013 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.95 -28.95 55.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.034 -0.53 . . . . 1.48 111.063 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 66' ' ' LEU . 3.7 tt -62.28 -42.56 99.45 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.655 -0.498 . . . . 1.23 109.655 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.98 -37.8 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 2.51 110.624 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -66.98 -45.08 78.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.629 . . . . 3.83 110.745 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 72' ' ' ILE . . . -69.67 -34.54 74.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.248 0.547 . . . . 1.35 110.73 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.47 -18.6 62.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.783 -0.644 . . . . 2.84 110.601 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.43 -17.61 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 2.43 110.958 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 69' ' ' ALA . 1.7 mp -63.96 125.71 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.255 -0.646 . . . . 2.18 109.255 177.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -103.98 158.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.755 0.312 . . . . 3.29 111.022 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.21 -167.4 21.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.06 -0.59 . . . . 3.05 111.663 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -72.74 -20.97 61.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.303 -0.628 . . . . 3.86 109.303 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.65 -16.23 64.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 2.71 110.649 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.529 ' O ' HG22 ' A' ' 81' ' ' VAL . 61.2 t60 -54.88 -63.91 1.0 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.997 -0.547 . . . . 2.67 110.702 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.475 ' HA ' HG22 ' A' ' 81' ' ' VAL . 8.1 pt-20 -60.85 -34.76 75.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 4.0 111.573 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.12 -43.26 87.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.0 0.429 . . . . 3.57 110.703 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.35 -49.91 44.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.694 -0.685 . . . . 1.91 111.174 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 77' ' ' HIS . 33.4 m -70.87 -27.58 30.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 2.02 111.961 -175.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.519 ' O ' ' HE3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -48.88 -53.56 18.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.191 0.519 . . . . 3.91 110.79 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -72.85 -51.36 19.08 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.909 -0.587 . . . . 5.57 111.285 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.83 -52.54 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.563 0.949 . . . . 1.83 113.563 -171.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 3.0 pp0? -67.62 -34.09 76.28 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 110.188 -0.301 . . . . 2.91 110.188 -170.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.36 -51.89 67.57 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.817 -0.629 . . . . 3.78 110.714 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -55.14 -46.19 75.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.877 -0.601 . . . . 2.73 111.658 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.7 -56.53 15.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.586 -0.279 . . . . 1.42 110.443 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.485 ' HA ' ' CE2' ' A' ' 92' ' ' TYR . 27.6 t-20 -50.59 -42.73 56.16 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.821 0.343 . . . . 2.45 111.277 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.2 m -68.99 -34.27 75.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.139 -0.482 . . . . 2.6 111.115 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.49 76.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.602 -0.272 . . . . 1.68 111.557 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.489 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -73.14 -39.96 65.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.984 0.421 . . . . 1.62 110.047 -178.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.454 ' O ' ' HD2' ' A' ' 96' ' ' TYR . 47.3 t30 -65.6 -49.5 68.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.815 -0.629 . . . . 3.07 110.439 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.33 -30.69 71.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.122 0.486 . . . . 3.61 110.031 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.482 ' HA ' ' HB ' ' A' ' 98' ' ' THR . . . -61.4 -25.86 67.47 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.819 -0.628 . . . . 1.49 111.914 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -57.23 -45.71 83.65 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 108.916 -0.772 . . . . 3.53 108.916 174.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -68.32 -46.8 69.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.954 -0.566 . . . . 3.04 110.302 175.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.482 ' HB ' ' HA ' ' A' ' 95' ' ' ALA . 86.3 m -56.9 -57.95 10.27 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.752 -0.658 . . . . 2.22 111.834 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.66 -30.9 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.204 -0.453 . . . . 1.45 110.225 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 96' ' ' TYR . 51.0 ttp180 -64.82 -45.6 85.51 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.759 0.314 . . . . 3.22 110.436 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -59.82 -39.56 85.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.274 0.559 . . . . 3.68 110.487 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.53 -35.77 73.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.925 -0.58 . . . . 5.99 110.472 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -30.02 68.86 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.947 -0.569 . . . . 2.18 110.157 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.649 HD11 ' HA ' ' A' ' 39' ' ' ASN . 1.1 mp -53.09 -46.61 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.12 -0.945 . . . . 2.18 109.878 172.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -65.2 -42.06 93.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.856 -0.611 . . . . 3.91 110.751 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.07 -56.83 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.853 -0.612 . . . . 2.65 111.526 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.13 -37.94 84.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.307 -0.406 . . . . 1.79 111.641 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.77 ' O ' HG12 ' A' ' 112' ' ' ILE . 1.6 tm0? -55.22 -55.59 29.52 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 123.143 0.277 . . . . 2.8 110.864 -172.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -57.64 -36.44 71.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.014 0.435 . . . . 3.94 111.189 -175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -73.6 -37.6 65.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.951 -0.568 . . . . 3.52 110.799 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -25.77 42.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.633 -0.712 . . . . 1.71 111.35 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.77 HG12 ' O ' ' A' ' 108' ' ' GLN . 24.2 mm -53.69 -48.93 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 2.32 111.55 -178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -69.08 -28.52 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.849 0.357 . . . . 3.39 111.334 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.03 -31.85 59.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.306 0.574 . . . . 2.27 110.638 176.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.0 70.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 1.61 111.97 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 126' ' ' ALA . 85.0 tttt -54.75 -43.34 72.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.288 0.367 . . . . 5.33 111.07 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.63 -20.27 54.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.679 0.276 . . . . 3.22 111.535 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -96.49 -18.75 19.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.004 0.43 . . . . 4.26 111.201 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 61.54 33.09 83.61 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 111.144 -0.782 . . . . 1.7 111.144 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -67.42 -77.5 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.797 0.332 . . . . 2.53 111.536 -171.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.712 ' CE2' ' HB2' ' A' ' 123' ' ' ASP . 9.0 p90 -95.29 159.07 15.18 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.737 -0.838 . . . . 2.96 108.737 176.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -90.22 115.65 27.6 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.276 0.56 . . . . 4.56 110.543 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.712 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 8.2 t70 -137.1 142.56 42.33 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 115.459 -0.791 . . . . 6.07 110.927 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.544 ' HB2' ' N ' ' A' ' 130' ' ' ASN . 20.5 tt0 -85.37 -10.8 55.84 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.647 -0.706 . . . . 8.29 111.15 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 m -111.46 29.61 7.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.344 0.593 . . . . 7.49 110.661 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 116' ' ' LYS . . . -172.98 -64.11 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.887 -0.597 . . . . 5.77 111.945 -175.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.436 HG12 ' HG2' ' A' ' 128' ' ' GLU . 48.2 t -91.95 -73.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.335 -0.393 . . . . 3.48 111.801 -171.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.436 ' HG2' HG12 ' A' ' 127' ' ' VAL . 14.8 mm-40 -141.83 -87.85 0.16 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.364 -0.38 . . . . 4.61 111.582 -173.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -124.84 160.61 28.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 4.54 110.089 -176.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.544 ' N ' ' HB2' ' A' ' 124' ' ' GLU . 8.0 p30 -72.55 -43.14 63.89 Favored 'General case' 0 CA--C 1.509 -0.608 0 C-N-CA 120.251 -0.58 . . . . 6.24 111.553 -173.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -129.34 135.46 48.76 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.87 0.843 . . . . 4.47 111.591 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.3 p -81.6 178.92 8.06 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.484 -1.235 . . . . 3.39 109.421 169.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.6 ' O ' HG13 ' A' ' 137' ' ' ILE . 48.9 t30 -55.6 -46.72 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.002 -0.369 . . . . 2.7 110.002 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.12 -53.42 56.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.209 0.528 . . . . 3.06 110.445 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -62.1 -36.26 81.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.6 -0.727 . . . . 3.65 111.424 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -62.22 -39.76 93.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.985 -0.552 . . . . 3.7 110.514 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.662 ' O ' HG13 ' A' ' 141' ' ' ILE . 97.8 mt -61.26 -37.35 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 1.3 110.324 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.629 ' HB2' HG12 ' A' ' 151' ' ' VAL . . . -54.28 -43.89 71.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.912 0.387 . . . . 1.25 110.229 175.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.467 ' HA ' ' H ' ' A' ' 28' ' ' TYR . 5.8 t70 -64.88 -48.92 72.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.277 -0.874 . . . . 3.45 110.13 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -63.75 -33.2 75.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.501 -0.772 . . . . 2.8 112.477 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 137' ' ' ILE . 82.0 mt -54.67 -36.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 2.72 111.688 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.577 ' CE ' ' HA ' ' A' ' 148' ' ' ASP . 9.7 mptt -72.11 -27.59 62.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.973 0.416 . . . . 3.29 110.392 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.416 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . . . -74.08 -32.29 63.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.086 0.469 . . . . 4.17 110.29 172.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.416 ' NE2' ' HB ' ' A' ' 179' ' ' VAL . 22.4 mt-30 -73.81 -54.9 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.484 -0.78 . . . . 4.47 111.342 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' A' ' 147' ' ' LYS . 23.3 p -115.35 -34.55 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.995 0.369 . . . . 4.23 111.995 -175.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 142' ' ' LYS . . . 107.39 -11.55 39.65 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.737 -0.744 . . . . 3.67 112.367 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.447 ' HG2' ' OG1' ' A' ' 145' ' ' THR . 19.1 ptpt -84.83 137.28 33.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 4.09 110.887 -177.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.577 ' HA ' ' CE ' ' A' ' 142' ' ' LYS . 18.7 m-20 -86.82 77.62 9.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.575 0.702 . . . . 3.09 110.434 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.405 HG22 ' HG3' ' A' ' 147' ' ' LYS . 16.1 m -111.71 -177.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.231 -0.895 . . . . 2.75 111.216 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 77.2 p -108.31 157.69 18.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 3.03 111.255 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.629 HG12 ' HB2' ' A' ' 138' ' ' ALA . 7.4 p -133.16 138.75 50.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.859 -0.793 . . . . 2.42 108.859 176.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.3 p -145.58 135.69 23.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.606 0.241 . . . . 3.66 111.23 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -76.03 113.62 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.796 -0.446 . . . . 4.04 109.796 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -172.74 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.292 -0.413 . . . . 5.12 111.284 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -56.88 -38.01 72.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.922 -0.581 . . . . 7.4 111.337 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -82.87 -9.2 59.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.473 . . . . 5.79 111.652 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 96.69 9.78 56.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.534 -0.841 . . . . 4.19 112.653 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -93.56 147.22 23.18 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.671 -0.492 . . . . 4.46 109.671 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' TYR . . . . . 0.436 ' HB2' HG13 ' A' ' 172' ' ' VAL . 30.1 m-85 -91.79 96.18 10.27 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.582 -0.525 . . . . 3.01 109.582 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.5 m -82.66 129.6 37.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.283 0.563 . . . . 4.45 110.891 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 58.5 t -93.4 110.09 22.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.472 -0.785 . . . . 3.87 110.098 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 168' ' ' VAL . 34.1 ttmt -106.07 130.49 53.97 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-O 121.78 0.8 . . . . 5.58 111.366 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -79.68 157.34 27.24 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.557 -1.201 . . . . 4.5 108.83 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.74 -12.07 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 4.57 111.894 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -19.28 65.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.904 0.383 . . . . 6.2 110.294 173.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 104.29 7.79 39.65 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.943 -0.646 . . . . 5.84 112.691 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -118.45 135.98 54.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.614 -0.345 . . . . 6.93 110.867 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.662 ' HA ' ' HA ' ' A' ' 162' ' ' LYS . 0.8 OUTLIER -73.75 111.16 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.545 0.688 . . . . 5.68 110.877 176.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 19.6 m -90.07 -25.66 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.028 -0.987 . . . . 5.22 111.551 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -148.68 171.79 15.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.471 -0.331 . . . . 4.53 110.62 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 25.0 m -141.41 137.04 31.97 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.465 -0.568 . . . . 4.7 109.465 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.628 ' HB ' ' O ' ' A' ' 178' ' ' THR . 0.3 OUTLIER -113.15 144.69 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.04 0.448 . . . . 3.23 110.649 178.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASP . . . . . 0.608 ' H ' ' HB ' ' A' ' 178' ' ' THR . 13.6 t70 -98.64 -163.55 1.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.555 -0.748 . . . . 4.51 110.335 -177.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.456 ' H ' ' CG ' ' A' ' 173' ' ' ASP . 17.1 pttm -57.59 -25.57 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 4.58 111.851 -173.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.54 -18.69 63.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 4.13 111.45 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 69.01 2.17 29.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.106 -0.569 . . . . 2.47 113.748 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 184' ' ' LYS . 14.4 mmmm -122.78 -17.33 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.519 . . . . 4.12 109.743 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.628 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 5.0 m -48.12 124.55 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.06 -0.973 . . . . 4.09 111.204 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' VAL . . . . . 0.416 ' HB ' ' NE2' ' A' ' 144' ' ' GLN . 7.2 p -149.72 132.09 6.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.219 0.533 . . . . 5.02 110.739 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -82.0 59.15 4.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.678 -0.692 . . . . 7.76 110.559 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -166.12 -47.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.609 -0.723 . . . . 5.9 110.118 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -90.03 -179.71 5.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.323 -0.621 . . . . 6.54 109.323 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -79.84 58.5 2.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.947 0.403 . . . . 6.13 111.326 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 177' ' ' LYS . 15.4 mtmm -144.55 83.26 1.71 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.919 -0.582 . . . . 5.8 110.398 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -99.64 151.12 21.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.997 -0.547 . . . . 7.85 110.626 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.194 -1.337 . . . . 9.36 111.484 178.593 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.001 0 CA-C-O 120.887 0.159 . . . . 7.66 112.724 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 34.8 tt0 -86.79 90.31 8.25 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 122.671 0.388 . . . . 10.55 110.555 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 66.3 t30 171.01 106.69 0.05 OUTLIER Pre-proline 0 CA--C 1.505 -0.777 0 N-CA-C 107.093 -1.447 . . . . 11.09 107.093 -178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HA ' ' O ' ' A' ' 20' ' ' SER . 3.5 Cg_endo -78.18 63.43 8.27 Favored 'Trans proline' 0 N--CA 1.443 -1.476 0 C-N-CA 122.006 1.804 . . . . 9.07 112.519 -172.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.9 m -74.18 -19.2 60.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.894 -1.048 . . . . 10.4 109.718 172.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.73 -37.14 0.16 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.036 -0.983 . . . . 11.52 109.699 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.582 ' HB2' HG12 ' A' ' 29' ' ' VAL . 1.6 m -137.19 138.77 40.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.809 -0.632 . . . . 9.19 110.193 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.14 -3.05 30.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.236 0.541 . . . . 9.35 109.852 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' O ' ' HE1' ' A' ' 28' ' ' TYR . 20.8 tt0 73.59 10.32 4.87 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 114.922 -1.036 . . . . 6.12 110.16 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -145.57 70.23 1.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.901 -1.045 . . . . 6.44 108.67 170.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG23 ' HB2' ' A' ' 28' ' ' TYR . 14.6 tt -151.3 155.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.613 -0.721 . . . . 5.92 109.67 -174.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -93.9 127.42 39.65 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.39 -0.226 . . . . 6.46 110.39 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 142' ' ' LYS . 56.9 mtmt 69.73 134.76 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.12 0.887 . . . . 4.57 111.604 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HD2' ' OD1' ' A' ' 139' ' ' ASP . 27.5 mmtp 55.73 68.68 0.83 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.622 -0.717 . . . . 4.89 109.075 -172.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 2.5 t80 -144.92 131.45 19.82 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.216 -0.902 . . . . 5.36 111.969 -168.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG12 ' HB2' ' A' ' 20' ' ' SER . 5.7 p -90.94 131.8 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 107.671 -1.233 . . . . 2.96 107.671 173.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . 21.8 t -61.85 149.35 40.51 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.868 0.842 . . . . 3.38 112.012 -169.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 60.9 t90 -64.61 -16.68 63.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.53 -1.668 . . . . 4.51 109.659 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.591 ' HD3' ' N ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -54.6 -30.84 55.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.642 -1.163 . . . . 3.18 111.624 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.591 ' N ' ' HD3' ' A' ' 32' ' ' ARG . 2.9 t70 -53.2 -49.68 66.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.567 -0.742 . . . . 2.33 109.651 174.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.6 -50.57 35.81 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.919 -1.037 . . . . 2.55 111.748 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 31' ' ' TRP . . . -73.08 -58.81 3.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.724 1.009 . . . . 2.83 113.724 -169.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.95 -35.21 80.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.472 -0.331 . . . . 2.92 111.63 -167.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -65.64 -44.08 87.54 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.79 -0.364 . . . . 2.07 110.382 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -68.66 -26.5 65.35 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.538 0.685 . . . . 1.21 111.143 176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.649 ' HA ' HD11 ' A' ' 104' ' ' ILE . 8.9 t30 -71.54 -45.15 63.13 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.367 -0.833 . . . . 2.68 110.184 -172.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.3 m -56.9 -30.93 64.38 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.875 -1.057 . . . . 2.49 110.078 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.58 -53.93 8.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.258 0.551 . . . . 2.21 110.826 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.642 ' HB ' HD11 ' A' ' 49' ' ' ILE . 5.9 m -60.4 -31.36 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.301 -0.863 . . . . 1.7 110.817 -175.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 46' ' ' GLU . . . -67.07 -19.38 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 2.63 111.973 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.23 67.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.703 0.763 . . . . 3.09 109.723 174.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.691 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 7.6 p-80 -135.0 52.75 2.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.761 -1.109 . . . . 2.48 109.169 175.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 49' ' ' ILE . 30.2 tt0 -71.45 -34.91 70.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.35 -0.841 . . . . 2.78 111.561 -175.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.54 -35.06 79.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.967 -0.56 . . . . 2.53 111.348 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.691 ' HG2' ' O ' ' A' ' 45' ' ' HIS . 7.3 pt-20 -68.71 -29.22 67.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.397 . . . . 3.24 110.439 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.642 HD11 ' HB ' ' A' ' 42' ' ' VAL . 80.1 mt -63.9 -48.61 85.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.671 -0.695 . . . . 1.48 110.383 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -65.5 -33.23 75.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 2.8 110.259 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HA ' HD23 ' A' ' 54' ' ' LEU . 30.6 tt0 -58.11 -34.93 70.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 3.14 111.312 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.47 -27.77 69.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.974 0.416 . . . . 2.32 110.416 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.549 HG23 HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -67.56 -32.42 73.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.29 111.066 177.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.621 HD12 ' OE1' ' A' ' 63' ' ' GLN . 1.7 mm? -78.41 -5.28 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 1.95 110.825 -177.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -117.05 4.15 12.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.494 -0.558 . . . . 3.94 109.494 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 34.1 tt0 -84.22 123.07 75.62 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.445 -0.798 . . . . 3.0 110.057 -177.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 56' ' ' GLN . 77.4 Cg_exo -50.61 -26.53 17.15 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.633 2.888 . . . . 3.03 113.871 -175.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.88 -52.01 4.54 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.465 -0.874 . . . . 2.41 112.977 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG11 HG23 ' A' ' 53' ' ' THR . 27.8 t -73.17 -31.25 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 117.135 0.468 . . . . 1.75 111.99 -175.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.683 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 19.1 m -56.02 -34.95 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.712 0.291 . . . . 2.4 111.563 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.3 53.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.84 -0.618 . . . . 2.29 111.89 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.44 -48.54 60.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.63 0.252 . . . . 1.37 110.392 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.621 ' OE1' HD12 ' A' ' 54' ' ' LEU . 19.2 mt-30 -57.99 -44.58 87.25 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.638 0.732 . . . . 2.25 110.001 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 60' ' ' VAL . 74.7 mm-40 -60.0 -39.64 86.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.04 -1.436 . . . . 3.45 111.013 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.95 -28.95 55.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.034 -0.53 . . . . 1.48 111.063 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 66' ' ' LEU . 3.7 tt -62.28 -42.56 99.45 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.655 -0.498 . . . . 1.23 109.655 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.98 -37.8 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 2.51 110.624 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -66.98 -45.08 78.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.629 . . . . 3.83 110.745 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 72' ' ' ILE . . . -69.67 -34.54 74.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.248 0.547 . . . . 1.35 110.73 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.47 -18.6 62.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.783 -0.644 . . . . 2.84 110.601 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.43 -17.61 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 2.43 110.958 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 69' ' ' ALA . 1.7 mp -63.96 125.71 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.255 -0.646 . . . . 2.18 109.255 177.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -103.98 158.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.755 0.312 . . . . 3.29 111.022 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.21 -167.4 21.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.06 -0.59 . . . . 3.05 111.663 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -72.74 -20.97 61.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.303 -0.628 . . . . 3.86 109.303 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.65 -16.23 64.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 2.71 110.649 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.529 ' O ' HG22 ' A' ' 81' ' ' VAL . 61.2 t60 -54.88 -63.91 1.0 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.997 -0.547 . . . . 2.67 110.702 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.475 ' HA ' HG22 ' A' ' 81' ' ' VAL . 8.1 pt-20 -60.85 -34.76 75.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 4.0 111.573 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -66.12 -43.26 87.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.0 0.429 . . . . 3.57 110.703 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.35 -49.91 44.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.694 -0.685 . . . . 1.91 111.174 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 77' ' ' HIS . 33.4 m -70.87 -27.58 30.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 2.02 111.961 -175.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.519 ' O ' ' HE3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -48.88 -53.56 18.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.191 0.519 . . . . 3.91 110.79 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -72.85 -51.36 19.08 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.909 -0.587 . . . . 5.57 111.285 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.83 -52.54 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.563 0.949 . . . . 1.83 113.563 -171.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.62 -34.09 76.28 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 110.188 -0.301 . . . . 2.91 110.188 -170.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.36 -51.89 67.57 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.817 -0.629 . . . . 3.78 110.714 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -55.14 -46.19 75.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.877 -0.601 . . . . 2.73 111.658 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.7 -56.53 15.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.586 -0.279 . . . . 1.42 110.443 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.485 ' HA ' ' CE2' ' A' ' 92' ' ' TYR . 27.6 t-20 -50.59 -42.73 56.16 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.821 0.343 . . . . 2.45 111.277 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.2 m -68.99 -34.27 75.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.139 -0.482 . . . . 2.6 111.115 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.49 76.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.602 -0.272 . . . . 1.68 111.557 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.489 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -73.14 -39.96 65.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.984 0.421 . . . . 1.62 110.047 -178.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.454 ' O ' ' HD2' ' A' ' 96' ' ' TYR . 47.3 t30 -65.6 -49.5 68.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.815 -0.629 . . . . 3.07 110.439 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.33 -30.69 71.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.122 0.486 . . . . 3.61 110.031 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.482 ' HA ' ' HB ' ' A' ' 98' ' ' THR . . . -61.4 -25.86 67.47 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.819 -0.628 . . . . 1.49 111.914 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 0.1 OUTLIER -57.23 -45.71 83.65 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 108.916 -0.772 . . . . 3.53 108.916 174.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -68.32 -46.8 69.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.954 -0.566 . . . . 3.04 110.302 175.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.482 ' HB ' ' HA ' ' A' ' 95' ' ' ALA . 86.3 m -56.9 -57.95 10.27 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.752 -0.658 . . . . 2.22 111.834 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.66 -30.9 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.204 -0.453 . . . . 1.45 110.225 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 96' ' ' TYR . 51.0 ttp180 -64.82 -45.6 85.51 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.759 0.314 . . . . 3.22 110.436 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -59.82 -39.56 85.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.274 0.559 . . . . 3.68 110.487 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -70.53 -35.77 73.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.925 -0.58 . . . . 5.99 110.472 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -30.02 68.86 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.947 -0.569 . . . . 2.18 110.157 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.649 HD11 ' HA ' ' A' ' 39' ' ' ASN . 1.1 mp -53.09 -46.61 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.12 -0.945 . . . . 2.18 109.878 172.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -65.2 -42.06 93.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.856 -0.611 . . . . 3.91 110.751 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.07 -56.83 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.853 -0.612 . . . . 2.65 111.526 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.13 -37.94 84.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.307 -0.406 . . . . 1.79 111.641 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.77 ' O ' HG12 ' A' ' 112' ' ' ILE . 1.6 tm0? -55.22 -55.59 29.52 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 123.143 0.277 . . . . 2.8 110.864 -172.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -57.64 -36.44 71.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.014 0.435 . . . . 3.94 111.189 -175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -73.6 -37.6 65.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.951 -0.568 . . . . 3.52 110.799 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -25.77 42.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.633 -0.712 . . . . 1.71 111.35 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.77 HG12 ' O ' ' A' ' 108' ' ' GLN . 24.2 mm -53.69 -48.93 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 2.32 111.55 -178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -69.08 -28.52 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.849 0.357 . . . . 3.39 111.334 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.03 -31.85 59.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.306 0.574 . . . . 2.27 110.638 176.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.0 70.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 1.61 111.97 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 126' ' ' ALA . 85.0 tttt -54.75 -43.34 72.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.288 0.367 . . . . 5.33 111.07 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.63 -20.27 54.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.679 0.276 . . . . 3.22 111.535 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -96.49 -18.75 19.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.004 0.43 . . . . 4.26 111.201 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 61.54 33.09 83.61 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 111.144 -0.782 . . . . 1.7 111.144 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -67.42 -77.5 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.797 0.332 . . . . 2.53 111.536 -171.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.712 ' CE2' ' HB2' ' A' ' 123' ' ' ASP . 9.0 p90 -95.29 159.07 15.18 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.737 -0.838 . . . . 2.96 108.737 176.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -90.22 115.65 27.6 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.276 0.56 . . . . 4.56 110.543 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.712 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 8.2 t70 -137.1 142.56 42.33 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 115.459 -0.791 . . . . 6.07 110.927 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.544 ' HB2' ' N ' ' A' ' 130' ' ' ASN . 20.5 tt0 -85.37 -10.8 55.84 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.647 -0.706 . . . . 8.29 111.15 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 m -111.46 29.61 7.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.344 0.593 . . . . 7.49 110.661 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 116' ' ' LYS . . . -172.98 -64.11 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.887 -0.597 . . . . 5.77 111.945 -175.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.436 HG12 ' HG2' ' A' ' 128' ' ' GLU . 48.2 t -91.95 -73.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.335 -0.393 . . . . 3.48 111.801 -171.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.436 ' HG2' HG12 ' A' ' 127' ' ' VAL . 14.8 mm-40 -141.83 -87.85 0.16 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.364 -0.38 . . . . 4.61 111.582 -173.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -124.84 160.61 28.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 4.54 110.089 -176.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.544 ' N ' ' HB2' ' A' ' 124' ' ' GLU . 8.0 p30 -72.55 -43.14 63.89 Favored 'General case' 0 CA--C 1.509 -0.608 0 C-N-CA 120.251 -0.58 . . . . 6.24 111.553 -173.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -129.34 135.46 48.76 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.87 0.843 . . . . 4.47 111.591 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.3 p -81.6 178.92 8.06 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.484 -1.235 . . . . 3.39 109.421 169.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.6 ' O ' HG13 ' A' ' 137' ' ' ILE . 48.9 t30 -55.6 -46.72 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.002 -0.369 . . . . 2.7 110.002 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.12 -53.42 56.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.209 0.528 . . . . 3.06 110.445 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -62.1 -36.26 81.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.6 -0.727 . . . . 3.65 111.424 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -62.22 -39.76 93.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.985 -0.552 . . . . 3.7 110.514 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.662 ' O ' HG13 ' A' ' 141' ' ' ILE . 97.8 mt -61.26 -37.35 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 1.3 110.324 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.629 ' HB2' HG12 ' A' ' 151' ' ' VAL . . . -54.28 -43.89 71.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.912 0.387 . . . . 1.25 110.229 175.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.467 ' HA ' ' H ' ' A' ' 28' ' ' TYR . 5.8 t70 -64.88 -48.92 72.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.277 -0.874 . . . . 3.45 110.13 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -63.75 -33.2 75.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.501 -0.772 . . . . 2.8 112.477 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 137' ' ' ILE . 82.0 mt -54.67 -36.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 2.72 111.688 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.577 ' CE ' ' HA ' ' A' ' 148' ' ' ASP . 9.7 mptt -72.11 -27.59 62.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.973 0.416 . . . . 3.29 110.392 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.416 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . . . -74.08 -32.29 63.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.086 0.469 . . . . 4.17 110.29 172.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.416 ' NE2' ' HB ' ' A' ' 179' ' ' VAL . 22.4 mt-30 -73.81 -54.9 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.484 -0.78 . . . . 4.47 111.342 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' A' ' 147' ' ' LYS . 23.3 p -115.35 -34.55 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.995 0.369 . . . . 4.23 111.995 -175.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 142' ' ' LYS . . . 107.39 -11.55 39.65 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.737 -0.744 . . . . 3.67 112.367 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.447 ' HG2' ' OG1' ' A' ' 145' ' ' THR . 19.1 ptpt -84.83 137.28 33.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 4.09 110.887 -177.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.577 ' HA ' ' CE ' ' A' ' 142' ' ' LYS . 18.7 m-20 -86.82 77.62 9.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.575 0.702 . . . . 3.09 110.434 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.405 HG22 ' HG3' ' A' ' 147' ' ' LYS . 16.1 m -111.71 -177.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.231 -0.895 . . . . 2.75 111.216 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 77.2 p -108.31 157.69 18.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 3.03 111.255 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.629 HG12 ' HB2' ' A' ' 138' ' ' ALA . 7.4 p -133.16 138.75 50.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.859 -0.793 . . . . 2.42 108.859 176.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.3 p -145.58 135.69 23.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.606 0.241 . . . . 3.66 111.23 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -76.03 113.62 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.796 -0.446 . . . . 4.04 109.796 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -172.74 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.292 -0.413 . . . . 5.12 111.284 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -56.88 -38.01 72.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.922 -0.581 . . . . 7.4 111.337 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -82.87 -9.2 59.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.473 . . . . 5.79 111.652 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 96.69 9.78 56.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.534 -0.841 . . . . 4.19 112.653 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -93.56 147.22 23.18 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.671 -0.492 . . . . 4.46 109.671 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' TYR . . . . . 0.436 ' HB2' HG13 ' A' ' 172' ' ' VAL . 30.1 m-85 -91.79 96.18 10.27 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.582 -0.525 . . . . 3.01 109.582 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.5 m -82.66 129.6 37.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.283 0.563 . . . . 4.45 110.891 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 58.5 t -93.4 110.09 22.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.472 -0.785 . . . . 3.87 110.098 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 168' ' ' VAL . 34.1 ttmt -106.07 130.49 53.97 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-O 121.78 0.8 . . . . 5.58 111.366 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -79.68 157.34 27.24 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.557 -1.201 . . . . 4.5 108.83 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.74 -12.07 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 4.57 111.894 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -19.28 65.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.904 0.383 . . . . 6.2 110.294 173.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 104.29 7.79 39.65 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.943 -0.646 . . . . 5.84 112.691 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -118.45 135.98 54.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.614 -0.345 . . . . 6.93 110.867 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.662 ' HA ' ' HA ' ' A' ' 162' ' ' LYS . 0.8 OUTLIER -73.75 111.16 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.545 0.688 . . . . 5.68 110.877 176.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 19.6 m -90.07 -25.66 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.028 -0.987 . . . . 5.22 111.551 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -148.68 171.79 15.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.471 -0.331 . . . . 4.53 110.62 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 25.0 m -141.41 137.04 31.97 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.465 -0.568 . . . . 4.7 109.465 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.628 ' HB ' ' O ' ' A' ' 178' ' ' THR . 0.3 OUTLIER -113.15 144.69 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.04 0.448 . . . . 3.23 110.649 178.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASP . . . . . 0.608 ' H ' ' HB ' ' A' ' 178' ' ' THR . 13.6 t70 -98.64 -163.55 1.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.555 -0.748 . . . . 4.51 110.335 -177.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.456 ' H ' ' CG ' ' A' ' 173' ' ' ASP . 17.1 pttm -57.59 -25.57 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 4.58 111.851 -173.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.54 -18.69 63.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 4.13 111.45 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 69.01 2.17 29.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.106 -0.569 . . . . 2.47 113.748 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 184' ' ' LYS . 14.4 mmmm -122.78 -17.33 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.191 0.519 . . . . 4.12 109.743 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.628 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 5.0 m -48.12 124.55 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.06 -0.973 . . . . 4.09 111.204 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' VAL . . . . . 0.416 ' HB ' ' NE2' ' A' ' 144' ' ' GLN . 7.2 p -149.72 132.09 6.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.219 0.533 . . . . 5.02 110.739 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -82.0 59.15 4.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.678 -0.692 . . . . 7.76 110.559 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -166.12 -47.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.609 -0.723 . . . . 5.9 110.118 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -90.03 -179.71 5.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.323 -0.621 . . . . 6.54 109.323 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -79.84 58.5 2.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.947 0.403 . . . . 6.13 111.326 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 177' ' ' LYS . 15.4 mtmm -144.55 83.26 1.71 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.919 -0.582 . . . . 5.8 110.398 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -99.64 151.12 21.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.997 -0.547 . . . . 7.85 110.626 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.194 -1.337 . . . . 9.36 111.484 178.593 . . . . . . . . 0 0 . 1 stop_ save_