data_5hv8_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 5hv8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.741 ' O ' ' HG ' ' A' 2063 ' ' LEU . 52.4 mt-30 . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.738 -0.467 . . . . 2.83 109.738 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -54.32 -44.5 72.09 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 112.406 0.521 . . . . 1.39 112.406 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.59 -40.26 86.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 2.4 110.567 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.457 ' HB ' ' O ' ' A' 2059 ' ' GLN . 84.9 m -57.93 -43.85 86.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 1.48 110.756 173.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' A' 2059 ' ' GLN . 17.6 mt -78.43 -36.89 44.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.376 -0.829 . . . . 1.61 111.292 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.21 -24.37 67.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.169 0.509 . . . . 1.1 110.419 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -82.42 -38.39 24.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.18 -0.674 . . . . 1.14 109.18 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.97 -63.94 1.12 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.261 -0.881 . . . . 1.1 111.385 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.35 -38.9 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 1.38 111.596 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.05 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.549 -0.296 . . . . 1.06 110.905 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.446 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.97 -32.72 74.12 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.1 0.476 . . . . 1.0 109.96 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.539 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.97 -56.83 13.68 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.339 -0.846 . . . . 1.07 110.353 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.476 ' HA ' ' HG ' ' A' 2102 ' ' LEU . 14.0 t -68.08 -36.36 79.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.014 0.435 . . . . 1.04 111.417 -174.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.429 ' HB1' HD12 ' A' 2083 ' ' ILE . . . -68.25 -22.84 64.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.1 -0.5 . . . . 1.17 110.565 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 54.4 m -81.01 -42.16 21.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 1.31 111.499 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -62.48 -36.73 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.353 0.596 . . . . 1.48 109.816 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.528 -0.76 . . . . 1.58 111.978 177.378 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.731 -0.47 . . . . 1.9 109.731 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' A' 2069 ' ' ALA . 52.8 Cg_exo -57.78 -29.56 86.28 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.031 2.487 . . . . 0.74 112.566 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.02 -21.9 66.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 2.96 110.646 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.7 t -100.57 6.9 44.28 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.539 -0.755 . . . . 2.08 111.122 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.429 HD12 ' HB1' ' A' 2072 ' ' ALA . 11.5 mt -83.58 111.03 19.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.899 0.38 . . . . 1.24 110.189 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.427 ' HB2' ' OG1' ' A' 2087 ' ' THR . 25.3 m -74.31 126.5 88.92 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.822 -0.626 . . . . 1.07 111.427 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 18.4 Cg_endo -59.59 -38.79 79.99 Favored 'Trans proline' 0 CA--C 1.516 -0.394 0 C-N-CA 123.954 3.103 . . . . 0.43 113.671 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -71.96 -5.79 37.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.671 -0.695 . . . . 1.21 112.147 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.468 ' O ' HG23 ' A' 2124 ' ' THR . 3.7 m -90.28 153.1 20.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.214 0.531 . . . . 1.06 110.861 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.427 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.25 142.82 27.06 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.477 -0.783 . . . . 1.11 110.083 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.464 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.2 m-85 -54.36 -29.72 49.26 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.323 0.389 . . . . 0.74 110.915 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -42.8 -63.61 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.22 -0.9 . . . . 3.31 110.605 168.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.97 -37.61 83.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.931 -1.486 . . . . 1.88 112.103 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' 2088 ' ' ALA . 0.9 OUTLIER -67.55 -21.44 65.46 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.664 0.246 . . . . 1.33 111.664 -178.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.09 10.62 8.04 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.421 -0.895 . . . . 0.29 112.767 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 33.7 mm -77.73 131.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.951 0.405 . . . . 1.09 111.685 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2095 ' ' ASP . . . . . 0.419 ' HB2' HD13 ' A' 2097 ' ' LEU . 29.2 m-20 -107.0 -162.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.012 -0.736 . . . . 1.07 109.012 172.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -34.17 51.57 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.06 -0.656 . . . . 0.91 111.371 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.61 -44.03 58.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.938 -0.573 . . . . 2.18 110.512 -177.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.89 -16.08 58.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.245 -0.434 . . . . 1.08 111.806 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.504 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.74 -48.54 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 1.04 110.417 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -70.69 -36.02 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.278 -0.419 . . . . 1.14 110.562 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' 2100 ' ' LEU . 8.4 mm-40 -62.13 -38.84 90.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.864 0.364 . . . . 0.72 111.39 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.476 ' HG ' ' HA ' ' A' 2071 ' ' THR . 1.4 tt -58.09 -53.81 54.01 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.824 -0.436 . . . . 1.34 109.824 173.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 50.3 ttp85 -53.74 -49.52 67.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.826 . . . . 3.14 109.791 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -48.95 -49.37 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.567 -0.742 . . . . 0.48 110.943 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 53.5 m -61.6 -53.15 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 1.27 111.743 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' 2102 ' ' LEU . 3.2 pp -72.67 -19.83 61.36 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.687 -0.405 . . . . 1.73 111.528 -176.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 93.5 m -73.71 -39.92 63.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 1.34 109.87 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -67.83 -24.36 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 3.58 110.673 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -91.69 -7.09 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.118 -0.492 . . . . 3.21 111.795 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 14.9 p -108.83 -29.69 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.758 0.281 . . . . 1.52 111.758 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.51 6.02 86.26 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.806 -0.712 . . . . 1.05 112.939 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 2.1 pp -109.88 -169.78 1.53 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.704 -0.292 . . . . 1.99 110.51 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -113.88 137.94 50.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.339 -0.391 . . . . 1.18 110.182 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' 2114 ' ' LEU . 3.9 tp -133.71 141.03 38.5 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.226 -0.443 . . . . 3.41 110.635 -172.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -66.94 144.09 68.91 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.191 2.594 . . . . 1.36 112.487 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.2 -5.96 12.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.956 2.437 . . . . 0.94 112.359 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.3 p -98.49 3.23 48.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.591 . . . . 1.42 110.106 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.7 OUTLIER -39.34 -64.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.387 -1.279 . . . . 1.38 112.635 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' 2099 ' ' ALA . 39.0 mm -73.89 -25.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 1.12 110.83 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.22 -36.52 83.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.914 -0.585 . . . . 4.38 110.294 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.86 -44.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 2.0 112.605 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -128.42 64.19 66.79 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 120.393 -0.523 . . . . 0.87 111.925 -172.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.694 ' O ' HG22 ' A' 2124 ' ' THR . 59.5 Cg_endo -82.87 106.58 1.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 CA-C-N 119.972 1.026 . . . . 0.48 112.995 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.694 HG22 ' O ' ' A' 2123 ' ' PRO . 3.3 p -176.67 158.99 1.58 Allowed Pre-proline 0 C--O 1.236 0.342 0 N-CA-C 105.786 -1.931 . . . . 1.12 105.786 164.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.516 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.3 Cg_exo -61.75 -38.97 56.43 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 120.427 1.188 . . . . 0.29 109.825 169.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.509 ' O ' ' HB ' ' A' 2129 ' ' THR . 68.1 t60 -62.51 -55.95 22.63 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.19 -0.913 . . . . 0.92 112.484 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.06 85.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.303 . . . . 1.1 111.696 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' 2119 ' ' ILE . 24.7 mt -67.3 -35.28 79.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.788 -0.365 . . . . 1.32 110.682 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' 2126 ' ' HIS . 63.8 m -54.49 -41.0 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.252 0.549 . . . . 1.1 110.6 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -47.88 35.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.51 -0.768 . . . . 2.45 110.077 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' 2135 ' ' ARG . 79.8 t60 -59.62 -50.22 74.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.973 -0.558 . . . . 0.71 110.573 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.33 -28.22 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.596 -0.274 . . . . 1.27 111.064 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -62.62 -46.41 88.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.562 -0.532 . . . . 0.79 109.562 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 9.6 m -65.65 -36.49 83.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.669 -0.696 . . . . 1.38 110.562 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' 2131 ' ' HIS . 7.0 mmp_? . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 3.81 111.429 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.555 ' O ' HD13 ' A' 2063 ' ' LEU . 26.9 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.325 0.107 . . . . 2.83 110.746 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -48.26 -44.56 33.56 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 112.845 0.683 . . . . 1.39 112.845 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.28 -43.93 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 2.4 110.957 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 64.3 m -60.5 -56.59 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 1.48 110.791 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' 2059 ' ' GLN . 6.1 mp -61.22 -37.23 82.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.602 -0.726 . . . . 1.61 112.084 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.19 -26.59 67.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 1.1 110.801 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 27.9 m -83.2 -38.04 22.82 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.18 -0.674 . . . . 1.14 109.18 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.44 HD21 ' ND2' ' A' 2109 ' ' ASN . 20.8 tp -55.31 -61.16 2.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.435 -0.802 . . . . 1.1 110.843 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' 2063 ' ' LEU . 6.2 p -56.48 -42.97 76.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.38 -0.827 . . . . 1.38 111.735 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.52 80.44 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.487 -0.19 . . . . 1.06 110.487 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.496 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.71 -40.01 90.71 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.812 0.339 . . . . 1.0 110.221 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.699 ' O ' HG11 ' A' 2074 ' ' VAL . . . -60.56 -56.81 16.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.724 -0.671 . . . . 1.07 110.845 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.473 ' CB ' HD13 ' A' 2102 ' ' LEU . 4.6 t -68.17 -25.32 65.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.215 0.531 . . . . 1.04 110.781 -175.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -76.07 -34.07 59.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.675 . . . . 1.17 111.236 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 92.4 m -78.91 -42.07 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.086 0.402 . . . . 1.31 112.086 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' 2070 ' ' ALA . 1.8 m -60.66 -34.72 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.697 0.76 . . . . 1.48 109.572 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 114.825 -1.079 . . . . 1.58 111.109 176.75 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 24.0 m . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.214 -0.661 . . . . 1.9 109.214 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.496 ' HB3' ' N ' ' A' 2069 ' ' ALA . 12.8 Cg_exo -67.44 -28.79 38.54 Favored 'Trans proline' 0 CA--C 1.513 -0.527 0 C-N-CA 122.773 2.315 . . . . 0.74 110.785 -173.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.12 -29.11 70.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.231 -1.35 . . . . 2.96 110.245 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 38.7 t -101.95 12.32 37.12 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.055 -0.975 . . . . 2.08 111.125 -172.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2083 ' ' ILE . . . . . . . . . . . . . 5.8 mt -84.11 128.27 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 1.24 111.046 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' 2125 ' ' PRO . 15.2 m -83.97 125.0 73.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.622 -0.717 . . . . 1.07 111.024 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.497 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 40.3 Cg_endo -63.49 -32.71 70.41 Favored 'Trans proline' 0 N--CA 1.473 0.306 0 C-N-CA 123.712 2.941 . . . . 0.43 113.929 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.66 -11.45 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.344 0.498 . . . . 1.21 112.344 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.6 m -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.485 0.66 . . . . 1.06 111.062 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.418 ' O ' HD23 ' A' 2092 ' ' LEU . . . -89.08 138.93 30.97 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.13 -0.941 . . . . 1.11 110.045 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.5 ' HB3' HG13 ' A' 2094 ' ' ILE . 7.6 m-30 -53.15 -30.37 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.469 -0.787 . . . . 0.74 112.523 -177.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -58.62 -40.19 82.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 3.31 110.81 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.49 -30.32 65.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.39 -0.823 . . . . 1.88 110.522 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' 2088 ' ' ALA . 1.4 mm? -78.06 -21.75 50.15 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.501 -0.318 . . . . 1.33 110.915 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.96 2.51 6.09 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.229 -0.986 . . . . 0.29 113.932 173.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -65.39 128.17 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.26 0.53 . . . . 1.09 112.063 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -107.68 -174.11 2.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.672 -0.862 . . . . 1.07 108.672 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -27.73 64.5 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.645 -0.822 . . . . 0.91 109.924 176.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.746 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.1 mt -64.53 -58.99 4.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.96 . . . . 2.18 110.709 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.92 60.75 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.771 -0.649 . . . . 1.08 112.199 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -61.87 -34.61 76.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.189 -0.459 . . . . 1.04 111.117 174.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -76.65 -42.28 42.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.306 -0.557 . . . . 1.14 110.635 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.498 ' N ' HD11 ' A' 2100 ' ' LEU . 5.9 mm-40 -60.38 -39.66 88.08 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.72 111.398 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' 2071 ' ' THR . 0.9 OUTLIER -62.29 -52.56 63.23 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.908 -0.587 . . . . 1.34 110.859 -179.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.655 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 14.8 ptt-85 -68.14 -24.09 64.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.758 -0.377 . . . . 3.14 110.267 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' 2101 ' ' GLU . 79.3 m-20 -58.05 -46.82 84.76 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.018 0.437 . . . . 0.48 109.914 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.6 m -72.81 -42.26 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.911 -0.586 . . . . 1.27 111.165 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' 2067 ' ' VAL . 93.9 mt -61.64 -55.8 26.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.944 0.402 . . . . 1.73 111.605 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 6.7 m -66.93 -27.48 67.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 1.34 110.798 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -68.23 -30.13 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 3.58 110.976 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.44 ' ND2' HD21 ' A' 2066 ' ' LEU . 9.0 t30 -76.9 -20.93 55.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.579 0.704 . . . . 3.21 110.776 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.504 HG23 HD11 ' A' 2132 ' ' LEU . 1.3 p -110.67 -37.18 5.52 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 113.369 0.877 . . . . 1.52 113.369 -174.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 102.82 0.97 49.08 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.289 -0.958 . . . . 1.05 114.325 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.497 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -66.67 -170.29 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 122.13 0.967 . . . . 1.99 110.855 175.558 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2113 ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' 2115 ' ' PRO . 1.1 t70 -102.16 131.17 48.84 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.486 -1.233 . . . . 1.18 110.165 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.96 108.25 1.51 Allowed Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.618 -0.719 . . . . 3.41 112.611 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.483 ' HG2' HD21 ' A' 2118 ' ' LEU . 57.7 Cg_endo -92.06 126.85 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.197 2.598 . . . . 1.36 112.031 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.655 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 21.7 Cg_endo -61.86 -10.42 17.27 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.359 2.039 . . . . 0.94 112.343 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2117 ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 16.7 p -103.39 2.44 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 1.42 112.11 -174.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.483 HD21 ' HG2' ' A' 2115 ' ' PRO . 1.6 tm? -49.93 -66.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 1.38 111.857 -175.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.451 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.2 mm -79.72 -15.05 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.467 0.651 . . . . 1.12 110.307 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2120 ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.1 m-85 -72.68 -36.65 67.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.63 -0.714 . . . . 4.38 110.389 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -37.6 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 2.0 112.098 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -132.1 62.01 61.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.266 -0.574 . . . . 0.87 112.422 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.436 ' C ' ' HG1' ' A' 2124 ' ' THR . 64.0 Cg_endo -82.09 105.47 1.49 Allowed 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.499 1.214 . . . . 0.48 111.095 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.436 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.75 147.29 0.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.711 -0.848 . . . . 1.12 108.711 175.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.497 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.1 Cg_exo -62.76 -57.91 0.38 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 121.385 1.39 . . . . 0.29 111.523 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.445 ' O ' ' HB ' ' A' 2129 ' ' THR . 79.6 t60 -64.49 -41.96 96.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 0.92 111.779 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.644 0.259 . . . . 1.1 111.204 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.407 HD13 ' CD1' ' A' 2106 ' ' LEU . 42.3 mt -62.16 -34.81 77.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 1.32 110.846 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' 2126 ' ' HIS . 89.5 m -53.32 -48.11 68.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.051 0.453 . . . . 1.1 110.07 176.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -63.46 -36.43 83.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.434 -0.803 . . . . 2.45 111.118 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' A' 2135 ' ' ARG . 46.9 t60 -62.34 -55.72 25.37 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 0.71 110.293 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.504 HD11 HG23 ' A' 2110 ' ' THR . 2.7 mm? -71.15 -25.72 62.68 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.678 -0.409 . . . . 1.27 110.709 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -63.85 -42.85 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.856 -0.424 . . . . 0.79 109.856 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 58.7 m -64.54 -37.0 86.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.881 -0.599 . . . . 1.38 110.61 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.9 mmp_? . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.143 0.497 . . . . 3.81 110.876 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.6 ' O ' HD11 ' A' 2063 ' ' LEU . 8.8 mm100 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 111.73 0.27 . . . . 2.83 111.73 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -53.41 -47.56 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.168 0.432 . . . . 1.39 112.168 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.477 -0.489 . . . . 2.4 110.907 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -60.03 4.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 1.48 110.802 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' 2059 ' ' GLN . 5.3 mp -59.43 -37.41 78.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.28 -0.873 . . . . 1.61 112.152 -177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 1.1 110.828 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 34.9 m -83.3 -40.7 19.18 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.283 -0.636 . . . . 1.14 109.283 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.421 HD22 ' ND2' ' A' 2109 ' ' ASN . 20.0 tp -55.11 -62.05 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.147 -0.933 . . . . 1.1 111.11 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' 2063 ' ' LEU . 7.4 p -57.76 -41.25 79.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.023 -0.535 . . . . 1.38 111.487 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.505 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -61.74 -49.16 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.144 -0.48 . . . . 1.06 110.945 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.408 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -68.16 -31.48 71.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 2074 ' ' VAL . . . -62.16 -64.52 0.91 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.865 -0.607 . . . . 1.07 109.718 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2071 ' ' THR . . . . . . . . . . . . . 11.2 t -59.81 -32.07 70.3 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.741 -0.663 . . . . 1.04 111.603 -174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.443 ' HB1' HD13 ' A' 2083 ' ' ILE . . . -72.31 -33.21 67.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.869 -0.605 . . . . 1.17 111.455 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 88.0 m -81.63 -32.78 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.301 0.375 . . . . 1.31 111.669 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' 2070 ' ' ALA . 1.5 t -51.84 -60.14 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.325 0.584 . . . . 1.48 109.807 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' 2075 ' ' LEU . 9.7 mp . . . . . 0 N--CA 1.445 -0.691 0 CA-C-N 115.255 -0.884 . . . . 1.58 111.468 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 109.07 -0.715 . . . . 1.9 109.07 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.408 ' HB3' ' N ' ' A' 2069 ' ' ALA . 24.5 Cg_exo -63.96 -23.18 68.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.627 2.218 . . . . 0.74 110.928 -177.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.09 -18.63 61.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.547 -1.206 . . . . 2.96 110.478 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.8 t -110.57 7.48 22.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.207 -0.906 . . . . 2.08 111.104 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' 2068 ' ' ALA . 7.3 mm -70.72 112.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 122.009 -0.432 . . . . 1.24 109.911 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.448 ' HB2' ' OG1' ' A' 2087 ' ' THR . 16.7 m -72.56 125.66 91.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.487 . . . . 1.07 110.57 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.475 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 54.5 Cg_endo -66.05 -32.18 44.47 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.701 2.934 . . . . 0.43 113.823 -174.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -83.23 -15.26 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.218 -0.446 . . . . 1.21 112.055 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.3 m -75.8 153.08 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.434 0.635 . . . . 1.06 110.771 -177.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.453 ' O ' HD23 ' A' 2092 ' ' LEU . . . -92.74 144.57 25.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.425 -0.807 . . . . 1.11 109.863 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.435 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 32.1 m-85 -57.88 -28.35 64.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.461 -0.336 . . . . 0.74 110.792 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.87 -52.34 24.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.606 -0.725 . . . . 3.31 109.949 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.02 -28.29 57.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.685 -1.143 . . . . 1.88 112.176 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' 2088 ' ' ALA . 0.4 OUTLIER -70.24 -20.56 63.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.027 -0.269 . . . . 1.33 110.889 176.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.42 4.41 13.7 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.748 -0.739 . . . . 0.29 112.285 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.435 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 32.2 mm -70.86 135.12 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.968 0.413 . . . . 1.09 111.319 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.15 -169.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.901 -0.777 . . . . 1.07 108.901 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -24.71 63.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.91 110.115 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.58 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.0 mt -76.51 -48.44 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.446 -1.252 . . . . 2.18 110.308 -175.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.2 p -82.26 -16.83 48.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.411 -0.813 . . . . 1.08 112.068 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.409 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.73 -42.04 87.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.068 0.461 . . . . 1.04 110.664 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.4 pp -73.7 -40.97 63.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.647 -0.421 . . . . 1.14 110.296 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.444 ' HA ' HD21 ' A' 2104 ' ' ASN . 16.7 mm-40 -58.63 -38.98 79.24 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 120.65 0.262 . . . . 0.72 111.307 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.431 HD22 HD12 ' A' 2106 ' ' LEU . 1.3 tt -61.49 -57.93 10.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.295 -0.411 . . . . 1.34 110.487 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -67.21 -20.48 65.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.277 -0.42 . . . . 3.14 111.253 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' 2101 ' ' GLU . 61.0 m-20 -57.18 -50.67 72.1 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.008 -0.367 . . . . 0.48 110.008 172.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.0 m -74.36 -36.79 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.531 . . . . 1.27 111.15 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.431 HD12 HD22 ' A' 2102 ' ' LEU . 89.8 mt -57.88 -49.54 76.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.947 0.403 . . . . 1.73 110.739 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.9 m -68.96 -33.42 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 1.34 110.431 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -62.31 -42.76 99.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.859 -0.61 . . . . 3.58 110.364 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.421 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.0 t30 -68.77 -35.94 77.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.892 -0.594 . . . . 3.21 110.947 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 19.7 p -88.13 -34.67 17.79 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.773 -0.648 . . . . 1.52 112.729 -170.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.27 5.07 63.99 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.86 -0.686 . . . . 1.05 112.075 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.6 -170.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 1.99 110.913 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2113 ' ' ASP . . . . . 0.645 ' O ' ' HD3' ' A' 2115 ' ' PRO . 12.6 t70 -99.02 139.12 35.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.341 -0.845 . . . . 1.18 109.105 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 60.0 tp -79.37 106.21 4.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.542 0.571 . . . . 3.41 112.542 -172.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' A' 2113 ' ' ASP . 72.2 Cg_endo -91.45 136.73 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.025 2.483 . . . . 1.36 112.148 175.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.8 -5.5 17.31 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.34 2.026 . . . . 0.94 112.096 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2117 ' ' THR . . . . . 0.408 ' HA ' ' HB3' ' A' 2120 ' ' PHE . 4.8 p -102.85 2.6 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 1.42 111.579 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.457 HD21 ' HG2' ' A' 2115 ' ' PRO . 0.9 OUTLIER -52.28 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 1.38 111.799 -176.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' 2099 ' ' ALA . 31.3 mm -81.27 -14.62 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.625 . . . . 1.12 109.957 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2120 ' ' PHE . . . . . 0.408 ' HB3' ' HA ' ' A' 2117 ' ' THR . 68.7 t80 -69.11 -53.92 17.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 4.38 110.486 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2121 ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 19.9 t70 -82.25 -41.04 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.509 -0.769 . . . . 2.0 111.786 -172.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2122 ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 1.1 m-70 -122.76 58.2 10.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 118.98 -0.533 . . . . 0.87 111.906 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.565 ' C ' ' HG1' ' A' 2124 ' ' THR . 58.2 Cg_endo -81.24 104.3 1.5 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 CA-C-N 121.159 1.45 . . . . 0.48 111.453 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.565 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.62 146.39 0.61 Allowed Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 124.655 1.182 . . . . 1.12 107.834 170.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.475 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -60.81 -53.6 2.56 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 121.608 1.539 . . . . 0.29 111.422 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.478 ' O ' ' HB ' ' A' 2129 ' ' THR . 78.3 t60 -66.87 -34.57 78.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.92 111.932 -178.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.51 74.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.724 0.297 . . . . 1.1 111.069 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.2 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.459 -0.337 . . . . 1.32 110.179 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' 2133 ' ' HIS . 89.0 m -56.59 -36.54 69.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.144 -0.48 . . . . 1.1 110.707 175.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.32 -46.16 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 2.45 110.497 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' 2135 ' ' ARG . 64.0 t60 -58.91 -55.96 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.71 110.573 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.91 -28.25 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.823 -0.626 . . . . 1.27 110.833 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2133 ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' 2129 ' ' THR . 15.6 t-80 -63.36 -39.97 95.99 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.921 -0.4 . . . . 0.79 109.921 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 26.0 m -72.59 -39.96 66.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.001 -0.545 . . . . 1.38 110.495 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.3 mmp_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 3.81 110.856 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.57 ' O ' HD12 ' A' 2063 ' ' LEU . 4.8 mt-30 . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 120.059 -0.02 . . . . 2.83 110.981 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -53.83 -42.45 68.47 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.494 0.554 . . . . 1.39 112.494 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.994 -0.682 . . . . 2.4 110.696 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.2 m -55.68 -57.98 9.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 1.48 110.96 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' 2059 ' ' GLN . 5.8 mp -59.27 -36.88 76.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.669 -0.696 . . . . 1.61 111.719 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.76 74.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.957 0.408 . . . . 1.1 111.02 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.2 m -80.95 -37.93 28.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.35 -0.611 . . . . 1.14 109.35 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 16.6 tp -55.72 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.994 -1.003 . . . . 1.1 110.983 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -57.07 -41.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 1.38 111.374 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.486 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 1.06 111.148 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.2 73.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.616 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.685 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.99 -61.13 2.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.957 -0.565 . . . . 1.07 110.153 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.447 ' HB ' HD12 ' A' 2102 ' ' LEU . 13.7 t -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.851 -0.613 . . . . 1.04 111.145 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' 2083 ' ' ILE . . . -70.3 -23.42 62.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 1.17 111.624 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.3 m -90.22 -35.3 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.904 0.335 . . . . 1.31 111.904 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -65.69 -37.47 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.229 -0.656 . . . . 1.48 109.229 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.086 -0.961 . . . . 1.58 111.153 175.829 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.804 -0.443 . . . . 1.9 109.804 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' 2068 ' ' ALA . 50.4 Cg_exo -55.71 -35.39 93.16 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.49 2.793 . . . . 0.74 112.5 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.92 -25.77 65.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.939 -0.573 . . . . 2.96 111.203 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 14.7 t -106.02 14.98 27.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.499 . . . . 2.08 111.419 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.486 HG13 ' HB3' ' A' 2068 ' ' ALA . 5.1 mm -72.69 112.87 9.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.909 -0.404 . . . . 1.24 109.909 175.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.6 m -73.48 125.75 90.42 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.195 0.521 . . . . 1.07 111.073 -176.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.42 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 59.8 Cg_endo -67.56 -32.46 31.17 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.813 3.009 . . . . 0.43 114.257 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.26 -13.54 58.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.18 0.437 . . . . 1.21 112.18 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.6 m -83.6 151.55 25.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.127 0.489 . . . . 1.06 110.493 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -90.61 141.73 28.48 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.656 . . . . 1.11 109.751 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.444 ' HZ ' ' CG2' ' A' 2067 ' ' VAL . 28.3 m-85 -52.13 -31.75 32.41 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.295 0.372 . . . . 0.74 111.291 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -49.89 -55.4 14.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.288 -0.869 . . . . 3.31 110.479 173.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.4 -28.92 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 1.88 111.597 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -21.26 66.19 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 122.257 -0.277 . . . . 1.33 111.462 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.83 -9.19 9.16 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.631 -0.795 . . . . 0.29 112.141 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2094 ' ' ILE . . . . . . . . . . . . . 28.2 mm -61.54 130.81 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 122.847 0.459 . . . . 1.09 111.603 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -103.42 -169.67 1.68 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.727 -0.842 . . . . 1.07 108.727 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -25.82 59.45 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.745 0.783 . . . . 0.91 109.324 174.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' 2100 ' ' LEU . 29.5 mt -72.31 -51.38 21.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.332 -1.304 . . . . 2.18 110.661 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -13.73 59.82 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.665 -0.698 . . . . 1.08 111.936 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' 2119 ' ' ILE . . . -59.75 -39.62 85.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 1.04 110.794 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -73.8 -41.56 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.588 -0.445 . . . . 1.14 110.504 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.504 ' N ' HD11 ' A' 2100 ' ' LEU . 9.4 mm-40 -59.56 -40.1 86.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.046 0.45 . . . . 0.72 111.479 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.1 tt -59.8 -55.02 39.46 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.063 -0.517 . . . . 1.34 110.655 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.545 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 19.1 ptt-85 -68.52 -22.21 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 3.14 110.868 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.429 HD21 ' HA ' ' A' 2101 ' ' GLU . 75.0 m-20 -58.74 -47.03 86.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.554 -0.536 . . . . 0.48 109.554 172.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2105 ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' 2109 ' ' ASN . 10.1 m -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 1.27 110.598 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 2102 ' ' LEU . 77.7 mt -56.57 -49.03 76.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 1.73 111.419 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 98.4 m -66.03 -42.76 89.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.418 . . . . 1.34 111.356 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.3 -29.84 65.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.222 -0.444 . . . . 3.58 110.65 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.4 t-20 -82.26 -11.62 58.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.83 -0.623 . . . . 3.21 110.836 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 21.8 p -106.22 -40.81 5.52 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.868 0.321 . . . . 1.52 111.868 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 104.06 17.94 14.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.832 -0.699 . . . . 1.05 111.628 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 37.4 mt -91.53 -169.84 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 1.99 110.936 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2113 ' ' ASP . . . . . 0.488 ' O ' ' HD3' ' A' 2115 ' ' PRO . 26.2 t70 -109.95 134.14 52.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.245 -0.889 . . . . 1.18 109.803 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.99 109.88 4.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 112.995 0.739 . . . . 3.41 112.995 -169.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' 2113 ' ' ASP . 73.4 Cg_endo -91.85 126.31 0.91 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.016 2.477 . . . . 1.36 111.883 172.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.545 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 40.1 Cg_endo -67.59 -9.4 25.28 Favored 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 122.192 1.928 . . . . 0.94 112.139 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2117 ' ' THR . . . . . 0.409 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 2.7 p -101.35 2.36 39.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.604 . . . . 1.42 111.756 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.466 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.3 tm? -49.52 -69.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 1.38 112.034 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' 2099 ' ' ALA . 35.3 mm -77.37 -16.35 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.435 0.636 . . . . 1.12 110.244 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2120 ' ' PHE . . . . . 0.409 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.7 m-30 -71.35 -37.71 71.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.685 -0.688 . . . . 4.38 110.441 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -95.94 -33.35 12.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.799 -0.637 . . . . 2.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -133.37 62.43 60.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 C-N-CA 120.522 -0.471 . . . . 0.87 111.848 -171.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -82.06 103.44 1.31 Allowed 'Trans proline' 0 N--CA 1.443 -1.45 0 CA-C-N 120.88 1.35 . . . . 0.48 111.201 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 142.22 0.45 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 114.942 -1.026 . . . . 1.12 108.641 172.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.42 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.3 Cg_exo -59.72 -55.63 1.62 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 121.837 1.691 . . . . 0.29 111.77 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 83.4 t60 -64.35 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.92 111.622 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.3 93.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 1.1 111.445 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.58 -37.45 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 1.32 110.962 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 56.5 m -53.66 -43.87 69.17 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.164 0.507 . . . . 1.1 110.412 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -68.58 -50.08 54.45 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.187 -0.915 . . . . 2.45 110.752 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.3 t60 -57.53 -54.18 49.71 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.449 . . . . 0.71 110.568 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -36.29 80.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.516 -0.766 . . . . 1.27 110.948 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -61.66 -35.13 77.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.27 . . . . 0.79 110.435 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 7.4 m -73.82 -40.35 63.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.476 . . . . 1.38 110.566 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.586 ' NE ' ' HA ' ' A' 2135 ' ' ARG . 2.5 mmp_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 3.81 111.822 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.43 ' O ' HD12 ' A' 2063 ' ' LEU . 45.7 mt-30 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.454 0.168 . . . . 2.83 110.7 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.27 -39.41 75.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.705 -0.225 . . . . 1.39 111.172 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.42 -48.8 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.532 0.682 . . . . 2.4 109.944 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 93.8 m -54.29 -60.08 3.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.373 -1.285 . . . . 1.48 111.112 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' 2067 ' ' VAL . 6.7 mp -59.92 -37.41 79.37 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.783 -0.644 . . . . 1.61 112.303 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.92 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 1.1 110.941 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.8 m -86.89 -36.44 18.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.916 -0.584 . . . . 1.14 109.459 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.7 tp -58.01 -62.15 2.03 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.433 -0.803 . . . . 1.1 111.19 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -55.45 -38.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.961 -0.563 . . . . 1.38 111.281 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.15 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.391 -0.368 . . . . 1.06 110.56 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.55 -34.13 75.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.103 0.477 . . . . 1.0 110.427 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.642 ' O ' HG11 ' A' 2074 ' ' VAL . . . -62.29 -55.43 28.36 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.519 -0.764 . . . . 1.07 110.442 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.417 ' OG1' HD12 ' A' 2094 ' ' ILE . 6.4 t -69.56 -31.44 69.62 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.282 0.563 . . . . 1.04 110.843 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -71.55 -20.83 61.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.916 -0.584 . . . . 1.17 110.753 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 98.3 m -82.59 -40.27 21.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.445 -0.343 . . . . 1.31 111.077 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.642 HG11 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -66.47 -40.63 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.466 0.65 . . . . 1.48 109.856 -177.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.232 -0.895 . . . . 1.58 111.885 179.432 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 62.6 m . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.498 -0.556 . . . . 1.9 109.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.447 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 53.9 Cg_exo -55.0 -29.25 63.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.385 2.723 . . . . 0.74 112.779 -175.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.08 -22.65 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 2.96 110.854 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 39.8 t -110.44 17.76 20.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.788 -0.642 . . . . 2.08 111.301 -172.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2083 ' ' ILE . . . . . . . . . . . . . 6.9 mt -87.26 118.39 33.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.033 -0.417 . . . . 1.24 110.393 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 44.7 m -75.77 132.48 74.68 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 1.07 111.646 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.5 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 58.3 Cg_endo -70.08 -31.23 19.47 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.636 2.891 . . . . 0.43 113.133 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.77 -13.86 60.64 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.167 -0.47 . . . . 1.21 111.601 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 8.2 m -79.28 157.81 27.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.293 0.568 . . . . 1.06 110.692 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -100.13 147.78 25.31 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.307 -0.861 . . . . 1.11 109.535 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.485 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 10.3 m-85 -62.3 -27.15 68.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.74 110.057 176.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -54.16 30.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 3.31 109.767 171.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.08 -40.94 74.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.848 -1.069 . . . . 1.88 111.492 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.47 -20.47 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.526 0.565 . . . . 1.33 112.526 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.48 10.94 6.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.19 -1.005 . . . . 0.29 113.841 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -73.96 122.35 26.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.206 0.526 . . . . 1.09 111.636 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -105.89 -164.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.947 -0.76 . . . . 1.07 108.947 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 1.2 p -74.75 -37.62 62.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.21 0.529 . . . . 0.91 111.478 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.6 -40.83 63.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.437 -0.801 . . . . 2.18 110.689 -176.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -80.51 -15.2 57.28 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.904 -0.589 . . . . 1.08 112.154 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.3 -44.39 97.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.028 0.442 . . . . 1.04 110.22 173.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -70.05 -39.4 75.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.659 -0.416 . . . . 1.14 110.038 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.472 ' N ' HD11 ' A' 2100 ' ' LEU . 5.8 mm-40 -59.58 -40.97 89.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.143 -0.481 . . . . 0.72 111.526 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.4 tt -60.37 -54.55 44.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.392 -0.367 . . . . 1.34 110.497 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.566 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.1 ptt-85 -63.66 -33.14 74.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.542 -0.54 . . . . 3.14 109.542 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' 2101 ' ' GLU . 93.0 m-20 -55.14 -52.28 63.77 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.072 0.463 . . . . 0.48 110.028 174.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 24.9 m -60.1 -51.84 67.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.582 -0.735 . . . . 1.27 111.623 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 2102 ' ' LEU . 2.7 pp -72.9 -22.37 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.739 -0.384 . . . . 1.73 111.939 -176.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 97.0 m -73.35 -41.79 63.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.896 0.379 . . . . 1.34 110.131 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.275 -0.42 . . . . 3.58 110.534 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.11 -50.14 36.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 3.21 110.839 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 17.5 p -70.17 -38.51 75.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.868 -0.605 . . . . 1.52 111.652 -174.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 100.2 -29.15 12.81 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.816 -0.707 . . . . 1.05 112.481 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.69 -173.14 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 1.99 111.116 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 34.0 t70 -105.45 131.3 53.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.176 -0.466 . . . . 1.18 111.469 -173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.44 142.85 41.45 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 3.41 110.66 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.503 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -67.66 151.94 78.58 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.374 2.716 . . . . 1.36 113.451 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.566 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 57.0 Cg_endo -70.87 -2.71 11.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.125 2.55 . . . . 0.94 111.94 176.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.1 p -100.43 3.46 43.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.364 -0.834 . . . . 1.42 109.789 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.6 OUTLIER -40.05 -64.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.392 -1.276 . . . . 1.38 112.783 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' 2099 ' ' ALA . 34.9 mm -80.58 -8.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 1.12 110.589 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -80.22 -40.34 27.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.807 -0.633 . . . . 4.38 109.964 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -86.51 -44.09 12.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 2.0 111.953 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -130.22 63.35 68.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.87 111.983 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -81.43 104.4 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 CA-C-N 120.899 1.357 . . . . 0.48 111.393 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.21 144.88 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.983 -1.008 . . . . 1.12 108.693 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.479 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 37.8 Cg_exo -59.21 -58.65 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 121.748 1.632 . . . . 0.29 111.755 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.631 ' O ' ' HB ' ' A' 2129 ' ' THR . 78.4 t60 -63.38 -38.03 89.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.957 -0.565 . . . . 0.92 111.653 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.95 84.77 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.181 -0.208 . . . . 1.1 111.41 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.82 -37.35 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.836 -0.346 . . . . 1.32 110.399 172.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.631 ' HB ' ' O ' ' A' 2126 ' ' HIS . 96.3 m -53.17 -42.71 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 1.1 110.451 174.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' 2126 ' ' HIS . 21.0 mt-30 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.393 -0.822 . . . . 2.45 110.017 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.615 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.7 t60 -58.94 -54.8 43.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 0.71 110.72 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.29 -34.6 76.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.623 . . . . 1.27 111.362 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -64.84 -45.25 86.92 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.79 109.03 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 17.5 m -64.77 -17.28 64.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.982 -0.554 . . . . 1.38 111.477 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.6 mmp_? . . . . . 0 C--N 1.323 -0.557 0 O-C-N 121.341 -0.849 . . . . 3.81 111.721 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.65 ' O ' HD11 ' A' 2063 ' ' LEU . 59.5 mt-30 . . . . . 0 N--CA 1.448 -0.571 0 N-CA-C 110.137 -0.32 . . . . 2.83 110.137 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.61 -41.38 73.38 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 113.059 0.763 . . . . 1.39 113.059 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -58.8 -38.45 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.533 . . . . 2.4 110.452 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' 2059 ' ' GLN . 73.3 m -60.87 -58.4 8.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.555 -0.748 . . . . 1.48 110.762 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.65 HD11 ' O ' ' A' 2059 ' ' GLN . 6.2 mp -57.73 -40.21 79.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.815 . . . . 1.61 111.988 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.47 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.906 0.384 . . . . 1.1 110.793 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 28.2 m -83.73 -37.09 23.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 1.14 109.618 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.3 tp -58.34 -62.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.39 -0.823 . . . . 1.1 110.97 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.578 HG11 ' O ' ' A' 2063 ' ' LEU . 7.0 p -55.2 -39.4 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 1.38 111.326 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -60.04 -57.79 11.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.054 -0.521 . . . . 1.06 110.471 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.01 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 1.0 111.076 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.608 ' O ' HG12 ' A' 2074 ' ' VAL . . . -62.92 -54.1 43.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.914 -0.585 . . . . 1.07 110.773 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2071 ' ' THR . . . . . . . . . . . . . 5.8 t -70.81 -24.49 62.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 1.04 110.117 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -71.79 -19.88 61.94 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.703 -1.135 . . . . 1.17 110.696 174.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 43.8 m -91.0 -37.41 13.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 1.31 111.312 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -71.57 -46.69 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.177 0.513 . . . . 1.48 109.833 -178.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.664 -0.698 . . . . 1.58 111.064 176.73 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' 2081 ' ' GLU . 19.1 m . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 107.888 -1.153 . . . . 1.9 107.888 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.02 -19.69 69.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.788 2.325 . . . . 0.74 111.786 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2081 ' ' GLU . . . . . 0.429 ' HB3' HG21 ' A' 2079 ' ' THR . 39.1 tt0 -61.05 -34.93 75.65 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.138 -0.937 . . . . 2.96 111.18 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -89.34 1.92 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.987 -0.551 . . . . 2.08 110.872 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2083 ' ' ILE . . . . . . . . . . . . . 31.0 mt -88.76 114.36 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.152 -0.477 . . . . 1.24 110.338 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.505 ' HB2' ' OG1' ' A' 2087 ' ' THR . 14.6 m -83.69 131.83 50.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 1.07 110.185 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 38.1 Cg_endo -63.6 -30.5 70.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.516 2.811 . . . . 0.43 113.446 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -91.36 0.73 57.47 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.658 0.614 . . . . 1.21 112.658 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' 2084 ' ' SER . 3.0 m -87.14 145.7 26.32 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.349 -0.54 . . . . 1.06 110.259 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -84.31 137.37 33.48 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.518 -0.764 . . . . 1.11 109.681 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2089 ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -53.37 -29.25 33.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.888 -0.596 . . . . 0.74 111.853 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -48.29 69.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.165 0.507 . . . . 3.31 109.891 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.61 -35.57 77.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.88 111.539 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.68 -22.1 64.4 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 121.116 -0.234 . . . . 1.33 111.484 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.41 9.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.114 -1.041 . . . . 0.29 112.572 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2094 ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.22 124.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.873 0.368 . . . . 1.09 111.208 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -99.28 -165.51 1.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.046 -0.724 . . . . 1.07 109.046 173.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -19.77 54.48 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.662 -0.866 . . . . 0.91 108.662 171.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.728 ' O ' ' HG ' ' A' 2100 ' ' LEU . 27.5 mt -73.35 -60.15 2.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.269 -1.332 . . . . 2.18 110.727 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -8.02 54.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.831 -0.622 . . . . 1.08 111.88 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -67.26 -43.76 81.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 1.04 110.36 174.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -69.87 -37.22 76.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.748 -0.381 . . . . 1.14 110.087 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' 2100 ' ' LEU . 7.6 mm-40 -59.6 -40.51 87.72 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.72 111.288 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.534 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.5 OUTLIER -61.4 -47.52 85.43 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.262 -0.426 . . . . 1.34 110.001 176.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' 2099 ' ' ALA . 25.5 mtm-85 -59.09 -46.05 89.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.738 -0.467 . . . . 3.14 109.738 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -50.39 -47.31 56.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.77 -0.65 . . . . 0.48 110.659 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 9.9 m -68.31 -46.25 70.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.612 -0.722 . . . . 1.27 110.743 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.2 mt -63.48 -45.51 90.43 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.154 -0.475 . . . . 1.73 111.34 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 26.3 m -56.52 -44.2 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.219 0.533 . . . . 1.34 110.87 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 82.7 t60 -68.22 -22.62 64.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.668 -0.696 . . . . 3.58 111.231 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -102.29 -13.05 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.374 0.509 . . . . 3.21 112.374 -174.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.405 HG21 ' O ' ' A' 2106 ' ' LEU . 49.9 p -103.38 -16.37 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.289 0.566 . . . . 1.52 111.072 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 90.32 -33.32 4.58 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.73 -0.668 . . . . 1.05 113.554 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.8 -178.65 3.72 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.237 0.541 . . . . 1.99 111.909 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.25 156.59 31.34 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.944 -1.025 . . . . 1.18 110.949 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.5 tp -140.54 133.52 14.74 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.197 -0.456 . . . . 3.41 109.982 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.549 ' O ' ' HB2' ' A' 2118 ' ' LEU . 51.8 Cg_endo -70.23 149.8 64.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.019 2.479 . . . . 1.36 113.093 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.482 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 56.5 Cg_endo -70.92 -8.25 23.21 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.996 2.464 . . . . 0.94 112.431 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 9.9 p -100.24 4.72 44.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.111 -0.495 . . . . 1.42 110.384 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.32 -65.05 0.51 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.026 -0.988 . . . . 1.38 112.463 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' 2099 ' ' ALA . 35.8 mm -77.39 -28.14 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.206 0.527 . . . . 1.12 110.311 -177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.27 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.724 -0.671 . . . . 4.38 110.582 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2121 ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 7.3 t0 -82.67 -49.3 9.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.118 -0.946 . . . . 2.0 111.803 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2122 ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 2.8 m-70 -125.02 65.93 49.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.6 -0.44 . . . . 0.87 111.975 -170.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.481 ' C ' ' HG1' ' A' 2124 ' ' THR . 62.0 Cg_endo -82.38 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 CA-C-N 120.664 1.273 . . . . 0.48 111.4 177.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.481 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.71 143.97 0.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.35 -0.981 . . . . 1.12 108.35 172.187 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.486 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.2 Cg_exo -58.08 -59.13 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 121.715 1.61 . . . . 0.29 111.477 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.573 ' O ' ' HB ' ' A' 2129 ' ' THR . 70.4 t60 -66.13 -32.48 73.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.92 112.226 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.82 72.12 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.794 -0.363 . . . . 1.1 110.938 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.27 -36.22 79.44 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.911 -0.316 . . . . 1.32 110.246 171.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.573 ' HB ' ' O ' ' A' 2126 ' ' HIS . 52.9 m -52.96 -37.19 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 1.1 110.68 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' 2126 ' ' HIS . 37.0 mt-30 -71.54 -45.4 62.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.525 -0.761 . . . . 2.45 110.124 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 63.5 t60 -66.07 -45.17 82.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.71 110.614 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.18 -20.5 60.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.358 -0.383 . . . . 1.27 111.023 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -71.6 -29.88 65.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.415 -0.587 . . . . 0.79 109.415 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 25.9 m -69.56 -43.06 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 1.38 109.594 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 3.81 109.966 176.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.454 ' O ' HD12 ' A' 2063 ' ' LEU . 50.5 mt-30 . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.543 0.211 . . . . 2.83 110.674 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -49.77 -43.11 48.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.047 0.758 . . . . 1.39 113.047 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.01 -36.95 75.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.994 -0.682 . . . . 2.4 110.931 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 55.2 m -58.61 -57.9 10.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 1.48 110.665 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.606 ' O ' HG13 ' A' 2067 ' ' VAL . 7.7 mp -57.55 -40.05 78.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.626 -0.715 . . . . 1.61 111.37 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.45 69.94 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.389 0.431 . . . . 1.1 110.753 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 67.7 m -79.16 -34.85 42.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.286 0.565 . . . . 1.14 109.546 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 14.1 tp -62.83 -64.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 1.1 110.807 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' 2063 ' ' LEU . 7.6 p -54.86 -39.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 1.38 111.355 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.58 -56.47 21.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.507 -0.315 . . . . 1.06 110.511 174.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.421 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -60.15 -34.43 73.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.899 0.38 . . . . 1.0 110.186 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' 2074 ' ' VAL . . . -61.19 -56.18 23.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.479 -0.782 . . . . 1.07 110.782 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.469 ' OG1' HD12 ' A' 2094 ' ' ILE . 9.9 t -68.31 -29.66 68.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.205 0.526 . . . . 1.04 110.955 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -73.31 -19.11 61.11 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.638 -0.71 . . . . 1.17 110.779 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 39.5 m -84.99 -31.85 23.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.285 -0.416 . . . . 1.31 110.643 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -73.08 -37.71 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.437 0.637 . . . . 1.48 109.547 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.314 -0.857 . . . . 1.58 111.257 178.412 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.41 ' O ' HG13 ' A' 2083 ' ' ILE . 28.1 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.369 -0.975 . . . . 1.9 108.369 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.421 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 17.1 Cg_exo -67.01 -16.57 49.81 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.37 2.047 . . . . 0.74 111.156 -175.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.2 -44.19 76.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.652 -1.158 . . . . 2.96 111.325 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 59.5 p -77.53 -18.27 57.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 2.08 110.932 -173.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' 2079 ' ' THR . 9.8 mt -67.93 97.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.046 -0.979 . . . . 1.24 110.495 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.496 ' HB2' ' OG1' ' A' 2087 ' ' THR . 15.6 m -79.17 131.67 65.44 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.645 -0.707 . . . . 1.07 111.03 -175.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 30.7 Cg_endo -62.22 -32.06 82.46 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.651 2.9 . . . . 0.43 113.16 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.93 -15.42 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 1.21 111.561 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.535 ' O ' HG22 ' A' 2124 ' ' THR . 2.6 m -84.92 148.95 25.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.186 0.517 . . . . 1.06 110.513 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -86.78 143.57 27.46 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.238 -0.892 . . . . 1.11 110.005 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2089 ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -52.79 -32.22 42.72 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.44 0.462 . . . . 0.74 110.824 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -49.67 -61.11 2.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.634 0.731 . . . . 3.31 110.503 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' 2087 ' ' THR . 12.6 m-20 -59.86 -34.69 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.307 -1.315 . . . . 1.88 111.868 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -22.17 65.48 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.048 -0.261 . . . . 1.33 111.652 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.71 -7.19 7.86 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.642 -0.79 . . . . 0.29 112.558 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.469 HD12 ' OG1' ' A' 2071 ' ' THR . 27.9 mm -63.09 126.61 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 1.09 112.036 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -103.91 -166.84 1.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.427 -0.953 . . . . 1.07 108.427 171.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -72.86 -31.57 64.83 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.69 0.757 . . . . 0.91 109.468 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.684 ' O ' ' HG ' ' A' 2100 ' ' LEU . 21.9 mt -63.08 -59.87 4.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.593 -1.185 . . . . 2.18 110.785 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.2 p -74.0 -9.86 59.06 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.247 -0.888 . . . . 1.08 112.626 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.54 -41.86 97.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.428 . . . . 1.04 110.443 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -75.43 -34.25 60.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.238 -0.437 . . . . 1.14 110.771 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.51 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -61.36 -37.43 83.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.72 111.087 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.6 OUTLIER -63.9 -50.1 70.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.548 -0.538 . . . . 1.34 109.548 175.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.548 ' NH1' ' HA ' ' A' 2116 ' ' PRO . 42.2 mtm105 -54.05 -45.27 71.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.214 -0.903 . . . . 3.14 109.46 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -53.15 -49.69 66.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.519 -0.764 . . . . 0.48 111.111 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 34.9 m -63.56 -55.71 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 1.27 112.418 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' 2102 ' ' LEU . 1.9 pp -68.27 -20.3 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.808 -0.357 . . . . 1.73 111.913 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.517 ' OG1' ' HG ' ' A' 2114 ' ' LEU . 91.6 m -73.56 -33.03 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.059 0.457 . . . . 1.34 110.49 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.19 -18.74 61.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.312 0.577 . . . . 3.58 109.937 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -93.16 -21.19 19.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 3.21 111.491 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 9.7 p -103.34 -41.63 5.97 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.91 -0.316 . . . . 1.52 111.775 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.7 73.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 1.05 112.489 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.88 -171.07 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.802 0.334 . . . . 1.99 110.821 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -112.21 116.68 30.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.96 -0.564 . . . . 1.18 110.654 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.517 ' HG ' ' OG1' ' A' 2107 ' ' THR . 0.0 OUTLIER -99.21 161.63 24.08 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.428 -0.806 . . . . 3.41 111.641 -170.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -91.85 147.56 3.22 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.795 2.997 . . . . 1.36 113.19 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.548 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 40.9 Cg_endo -68.91 -2.43 9.54 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.64 2.227 . . . . 0.94 111.892 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 6.4 p -95.38 -0.81 52.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.87 -0.605 . . . . 1.42 112.209 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' 2103 ' ' ARG . 4.9 mt -40.3 -70.41 0.1 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.954 0.724 . . . . 1.38 112.954 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 10.6 mm -83.22 -1.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.786 0.803 . . . . 1.12 110.208 -172.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.39 -49.17 7.11 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.41 -0.814 . . . . 4.38 110.064 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -98.14 -37.53 9.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 2.0 111.565 -173.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -120.29 44.2 0.66 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 118.828 -0.606 . . . . 0.87 112.544 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.69 ' O ' HG21 ' A' 2124 ' ' THR . 63.8 Cg_endo -82.32 106.53 1.56 Allowed 'Trans proline' 0 N--CA 1.446 -1.31 0 CA-C-N 121.258 1.485 . . . . 0.48 113.09 -175.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.69 HG21 ' O ' ' A' 2123 ' ' PRO . 5.9 p -176.45 160.77 1.75 Allowed Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 105.026 -2.213 . . . . 1.12 105.026 163.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.471 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -56.74 -36.41 98.45 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 CA-C-N 120.583 1.244 . . . . 0.29 110.63 172.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.509 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 82.8 t60 -77.59 -50.58 12.24 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.709 -0.678 . . . . 0.92 112.339 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.748 0.308 . . . . 1.1 111.186 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 6.0 tp -67.46 -39.25 85.33 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.811 0.339 . . . . 1.32 110.159 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' 2126 ' ' HIS . 32.9 m -54.64 -45.45 73.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.738 -0.664 . . . . 1.1 110.984 174.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -56.29 -45.76 80.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.774 -0.648 . . . . 2.45 111.203 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.42 -49.62 73.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.217 -0.447 . . . . 0.71 110.771 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.03 -24.44 63.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.016 -0.538 . . . . 1.27 111.397 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -70.72 -36.33 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.79 109.476 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -29.94 68.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.68 -0.691 . . . . 1.38 109.932 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 3.81 110.591 175.27 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.574 ' O ' HD13 ' A' 2063 ' ' LEU . 8.2 mm100 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 120.012 -0.042 . . . . 2.83 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -58.91 -42.28 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.657 -0.417 . . . . 1.39 111.866 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.4 -39.55 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.121 -0.632 . . . . 2.4 110.275 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 90.4 m -56.46 -60.27 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.674 . . . . 1.48 110.813 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' 2059 ' ' GLN . 5.2 mp -59.37 -37.55 78.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.818 -0.628 . . . . 1.61 112.216 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.8 -32.43 74.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.117 0.484 . . . . 1.1 110.739 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 29.4 m -82.75 -34.64 27.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.272 -0.64 . . . . 1.14 109.272 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.452 HD22 ' ND2' ' A' 2109 ' ' ASN . 12.7 tp -57.67 -60.83 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.36 -0.836 . . . . 1.1 110.801 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.485 ' HA ' HD23 ' A' 2106 ' ' LEU . 7.2 p -55.48 -42.22 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.951 -0.568 . . . . 1.38 111.399 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.9 61.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.322 -0.399 . . . . 1.06 110.737 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.463 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.99 -29.37 70.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.766 0.317 . . . . 1.0 110.532 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.3 -62.52 1.63 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.581 -0.525 . . . . 1.07 109.581 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.46 ' HB ' HD13 ' A' 2102 ' ' LEU . 12.1 t -64.36 -34.27 77.77 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.295 0.569 . . . . 1.04 110.946 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -66.85 -27.6 67.67 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.627 -0.715 . . . . 1.17 110.957 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 52.9 m -90.81 -34.19 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.059 0.392 . . . . 1.31 112.059 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.35 -35.44 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.882 -0.784 . . . . 1.48 108.882 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.453 HD22 HG23 ' A' 2098 ' ' THR . 60.9 mt . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 114.353 -1.294 . . . . 1.58 111.102 173.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.706 -0.479 . . . . 1.9 109.706 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.463 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 61.6 Cg_exo -53.92 -34.23 75.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.412 2.741 . . . . 0.74 112.762 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.52 -25.65 67.42 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.147 -0.479 . . . . 2.96 111.109 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 17.2 t -102.07 19.24 18.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.138 -0.483 . . . . 2.08 111.023 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2083 ' ' ILE . . . . . . . . . . . . . 9.8 mt -89.56 117.74 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.116 0.484 . . . . 1.24 110.569 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.8 m -75.74 131.33 76.9 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 1.07 111.26 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.491 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.2 Cg_endo -66.16 -30.58 46.38 Favored 'Trans proline' 0 N--CA 1.471 0.183 0 C-N-CA 123.79 2.993 . . . . 0.43 113.918 -172.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.46 -3.42 57.67 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.766 0.654 . . . . 1.21 112.766 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.4 m -84.37 150.49 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.632 0.73 . . . . 1.06 111.048 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.408 ' O ' HD21 ' A' 2092 ' ' LEU . . . -85.29 136.03 33.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.968 -1.015 . . . . 1.11 109.457 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.472 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 29.8 m-85 -52.47 -29.7 26.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.74 111.979 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' 2091 ' ' ASP . 9.9 ttpt -51.08 -57.8 7.74 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.465 0.478 . . . . 3.31 110.849 172.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2091 ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' 2090 ' ' LYS . 16.6 t70 -54.26 -39.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 1.88 112.095 177.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' 2088 ' ' ALA . 1.0 OUTLIER -69.01 -21.16 64.15 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.712 0.264 . . . . 1.33 111.712 -178.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.12 6.41 5.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.716 -0.754 . . . . 0.29 112.657 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 46.1 mm -84.09 138.86 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.959 0.409 . . . . 1.09 111.828 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2095 ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' A' 2096 ' ' SER . 26.8 t0 -139.32 -163.51 1.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.462 -0.94 . . . . 1.07 108.462 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2096 ' ' SER . . . . . 0.499 ' H ' ' CG ' ' A' 2095 ' ' ASP . 0.2 OUTLIER -55.24 -36.86 66.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.35 0.595 . . . . 0.91 111.763 -175.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.711 ' O ' ' HG ' ' A' 2100 ' ' LEU . 15.9 tp -63.87 -60.27 3.49 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.819 -1.082 . . . . 2.18 111.78 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.453 HG23 HD22 ' A' 2075 ' ' LEU . 8.3 p -82.17 -12.26 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.94 -0.573 . . . . 1.08 112.372 -174.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.54 82.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.922 0.392 . . . . 1.04 110.054 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -76.2 -38.62 56.26 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.429 -0.508 . . . . 1.14 110.057 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.41 ' N ' HD11 ' A' 2100 ' ' LEU . 5.7 mm-40 -63.75 -43.78 95.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.9 0.381 . . . . 0.72 111.168 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.3 tt -56.65 -55.78 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.054 -0.521 . . . . 1.34 110.135 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -53.33 -43.96 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.877 -0.601 . . . . 3.14 110.943 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.4 m-20 -51.14 -51.22 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.48 110.656 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.1 m -62.1 -44.62 96.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 1.27 110.6 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' 2102 ' ' LEU . 82.2 mt -60.46 -40.75 92.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 1.73 110.684 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.8 m -65.3 -45.77 83.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.355 -0.839 . . . . 1.34 110.969 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 39.7 m170 -72.97 -24.0 60.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.858 -0.61 . . . . 3.58 111.712 -174.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.452 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.2 t30 -69.13 -46.3 67.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 3.21 111.289 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 1.4 p -88.29 -39.78 14.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.101 0.408 . . . . 1.52 112.101 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 113.0 -13.58 24.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.44 -0.886 . . . . 1.05 112.447 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.02 -170.07 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.614 0.245 . . . . 1.99 110.565 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -122.65 133.42 54.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 1.18 110.054 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.31 140.93 24.21 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.876 0.369 . . . . 3.41 111.304 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.55 ' O ' ' HB2' ' A' 2118 ' ' LEU . 37.2 Cg_endo -67.88 147.96 75.66 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.176 2.584 . . . . 1.36 112.135 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.51 -8.82 11.66 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.204 2.603 . . . . 0.94 112.456 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2117 ' ' THR . . . . . 0.511 ' HB ' ' OD2' ' A' 2121 ' ' ASP . 2.8 p -96.63 3.89 52.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.629 . . . . 1.42 110.549 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -44.07 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.247 -0.888 . . . . 1.38 112.083 176.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 41.7 mm -76.31 -19.36 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.681 0.753 . . . . 1.12 109.777 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2120 ' ' PHE . . . . . 0.405 ' HB3' ' HA ' ' A' 2117 ' ' THR . 26.9 t80 -63.11 -48.37 78.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.858 -1.065 . . . . 4.38 110.154 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2121 ' ' ASP . . . . . 0.511 ' OD2' ' HB ' ' A' 2117 ' ' THR . 6.0 m-20 -87.45 -42.68 12.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 2.0 112.531 -175.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -124.98 62.79 37.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 120.113 -0.635 . . . . 0.87 112.146 -170.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.46 ' C ' ' HG1' ' A' 2124 ' ' THR . 71.0 Cg_endo -81.82 104.76 1.46 Allowed 'Trans proline' 0 N--CA 1.442 -1.503 0 CA-C-N 120.512 1.218 . . . . 0.48 111.119 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.46 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.63 142.58 0.48 Allowed Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 124.487 1.115 . . . . 1.12 108.348 170.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.491 ' HD2' ' O ' ' A' 2085 ' ' PRO . 40.1 Cg_exo -57.69 -54.65 3.1 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.737 1.625 . . . . 0.29 111.902 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.502 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.4 t60 -66.91 -38.31 85.99 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.159 -0.473 . . . . 0.92 111.581 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.6 91.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.37 -0.377 . . . . 1.1 111.261 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 1.32 110.704 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' 2126 ' ' HIS . 97.3 m -55.37 -51.13 67.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.186 0.517 . . . . 1.1 110.392 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.27 -39.7 94.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.32 -0.855 . . . . 2.45 110.532 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.675 ' O ' ' HG2' ' A' 2135 ' ' ARG . 86.3 t60 -60.32 -59.97 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.71 110.383 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.51 -31.48 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.27 111.292 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.84 -52.6 49.08 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.692 -0.484 . . . . 0.79 109.692 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 30.1 m -56.67 -40.75 76.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 1.38 111.295 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' 2131 ' ' HIS . 1.8 mmp_? . . . . . 0 C--N 1.33 -0.279 0 N-CA-C 112.404 0.52 . . . . 3.81 112.404 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.434 ' O ' HD13 ' A' 2063 ' ' LEU . 5.5 mm100 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 111.441 0.163 . . . . 2.83 111.441 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.72 -18.41 42.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.865 0.32 . . . . 1.39 111.865 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -81.57 -60.37 2.28 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.167 -0.679 . . . . 2.4 109.167 172.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 96.9 m -47.43 -57.67 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.189 -1.368 . . . . 1.48 111.518 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.56 ' O ' HG13 ' A' 2067 ' ' VAL . 2.7 mp -59.82 -46.86 87.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 1.61 111.786 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -59.25 -32.69 70.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.851 0.358 . . . . 1.1 111.312 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 6.4 m -82.69 -37.49 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.349 -0.612 . . . . 1.14 109.349 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.67 -63.76 1.19 Allowed 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.062 -0.972 . . . . 1.1 111.042 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' 2063 ' ' LEU . 7.7 p -50.89 -41.34 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 1.38 111.311 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.07 6.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.785 -0.643 . . . . 1.06 111.086 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.711 0.291 . . . . 1.0 111.329 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.58 ' O ' HG11 ' A' 2074 ' ' VAL . . . -66.54 -52.78 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 1.07 110.44 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.435 ' OG1' HD12 ' A' 2094 ' ' ILE . 14.5 t -71.39 -28.3 63.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.912 0.863 . . . . 1.04 109.924 -175.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -68.25 -16.97 64.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.545 -1.207 . . . . 1.17 110.67 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 40.9 m -90.77 -35.24 14.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.408 -0.36 . . . . 1.31 111.185 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -75.42 -37.06 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.51 0.671 . . . . 1.48 110.194 -177.368 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.418 HD21 HD13 ' A' 2094 ' ' ILE . 62.8 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.205 -0.907 . . . . 1.58 111.48 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 108.117 -1.068 . . . . 1.9 108.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.8 -15.06 36.75 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 122.507 2.138 . . . . 0.74 110.643 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.2 -33.88 77.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.151 -1.386 . . . . 2.96 110.658 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 30.3 t -85.36 -5.2 59.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.044 -0.98 . . . . 2.08 110.707 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.424 HD12 ' CG2' ' A' 2071 ' ' THR . 29.2 mt -86.67 94.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.185 0.517 . . . . 1.24 110.06 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.419 ' HB2' ' OG1' ' A' 2087 ' ' THR . 17.3 m -79.09 135.83 58.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.557 -0.747 . . . . 1.07 110.853 -176.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 56.3 Cg_endo -66.46 -29.7 44.71 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.629 2.886 . . . . 0.43 113.522 -173.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.46 -19.08 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.424 -0.353 . . . . 1.21 111.454 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.9 m -80.5 156.39 26.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.296 0.57 . . . . 1.06 110.603 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.473 ' O ' HD21 ' A' 2092 ' ' LEU . . . -95.02 146.33 24.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.613 -0.721 . . . . 1.11 110.481 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.503 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 19.6 m-85 -55.71 -28.55 56.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.74 111.051 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -47.01 -62.77 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.955 0.883 . . . . 3.31 110.566 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.12 -28.14 67.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.025 -1.443 . . . . 1.88 111.909 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' 2088 ' ' ALA . 0.1 OUTLIER -73.36 -21.48 60.52 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.967 -0.293 . . . . 1.33 111.706 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.57 2.78 8.04 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.096 -1.049 . . . . 0.29 113.523 174.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 23.9 mm -73.83 128.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.068 0.461 . . . . 1.09 112.215 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -112.31 -164.2 0.9 Allowed 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.51 -0.922 . . . . 1.07 108.51 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -33.83 66.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.007 -0.677 . . . . 0.91 110.579 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' 2100 ' ' LEU . 14.1 mt -62.29 -48.17 81.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.37 -0.832 . . . . 2.18 110.336 -177.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.0 p -86.81 -11.64 50.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.059 -0.973 . . . . 1.08 112.229 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' 2119 ' ' ILE . . . -64.11 -41.45 97.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.071 0.462 . . . . 1.04 109.83 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' 2101 ' ' GLU . 3.7 pp -73.27 -39.06 65.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.193 -0.458 . . . . 1.14 110.24 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.473 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -60.37 -42.75 96.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.967 0.413 . . . . 0.72 111.345 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.8 tp -62.57 -50.67 70.38 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 116.011 -0.541 . . . . 1.34 110.67 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' 2115 ' ' PRO . 37.8 ttp180 -57.99 -40.62 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.058 -0.519 . . . . 3.14 110.739 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.5 m-20 -50.52 -49.42 55.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.072 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2105 ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' 2109 ' ' ASN . 18.0 m -68.25 -45.21 73.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 1.27 110.371 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.6 mt -57.37 -43.83 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 1.73 111.217 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' 2114 ' ' LEU . 27.5 m -64.58 -46.78 81.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.775 -0.648 . . . . 1.34 111.004 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 83.4 t60 -72.74 -33.12 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 3.58 111.373 -176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' 2105 ' ' THR . 2.7 t-20 -72.11 -35.67 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 3.21 111.068 -175.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 22.6 p -88.78 -39.82 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.479 -0.328 . . . . 1.52 111.385 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 111.01 -26.95 11.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.63 -0.795 . . . . 1.05 112.261 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' 2135 ' ' ARG . 95.4 mt -77.25 -175.15 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.316 0.579 . . . . 1.99 111.311 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -112.27 124.62 52.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.329 -0.851 . . . . 1.18 110.885 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.439 ' HB2' ' OG1' ' A' 2107 ' ' THR . 2.6 mp -106.23 138.56 19.73 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.836 -0.62 . . . . 3.41 110.907 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.513 ' O ' ' HB2' ' A' 2118 ' ' LEU . 19.3 Cg_endo -65.56 145.77 82.96 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.043 2.495 . . . . 1.36 111.552 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.23 -13.77 25.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.038 2.492 . . . . 0.94 112.672 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.7 p -100.51 5.73 44.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.458 -0.337 . . . . 1.42 111.399 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.7 tm? -36.19 -67.09 0.18 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 1.38 113.114 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' 2099 ' ' ALA . 30.3 mm -74.73 -17.94 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 1.12 110.493 -177.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -74.86 -41.64 59.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.635 -0.711 . . . . 4.38 110.336 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.66 -46.54 15.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 2.0 111.604 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.17 65.84 58.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 C-N-CA 120.798 -0.361 . . . . 0.87 111.494 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.454 ' C ' ' HG1' ' A' 2124 ' ' THR . 58.9 Cg_endo -80.59 104.96 1.65 Allowed 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-N 120.398 1.178 . . . . 0.48 110.958 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.454 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.02 146.27 0.66 Allowed Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 114.779 -1.101 . . . . 1.12 108.816 173.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.411 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 33.2 Cg_exo -62.29 -57.06 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 121.838 1.692 . . . . 0.29 112.545 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.587 ' O ' ' HB ' ' A' 2129 ' ' THR . 83.1 t60 -71.34 -36.07 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.332 . . . . 0.92 111.514 -175.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.11 94.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.595 -0.275 . . . . 1.1 111.343 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.27 -39.06 78.22 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.6 0.238 . . . . 1.32 110.612 173.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -53.58 -47.22 70.31 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.824 -0.625 . . . . 1.1 110.596 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.712 -0.676 . . . . 2.45 111.486 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' 2135 ' ' ARG . 45.7 t60 -59.47 -56.85 16.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.924 0.393 . . . . 0.71 110.407 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.24 -30.61 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 1.27 110.978 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.28 -42.99 99.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.79 110.151 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 23.9 m -70.17 -35.09 73.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.301 -0.409 . . . . 1.38 110.486 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.2 mmp_? . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.184 -0.462 . . . . 3.81 111.895 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.585 ' O ' HD11 ' A' 2063 ' ' LEU . 77.1 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.549 -0.167 . . . . 2.83 110.549 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -47.67 -38.21 14.51 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.485 0.55 . . . . 1.39 112.485 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -64.65 -57.33 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.25 0.547 . . . . 2.4 110.43 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 33.9 m -55.31 -53.85 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.242 -0.89 . . . . 1.48 111.256 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.585 HD11 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -57.76 -41.6 82.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.239 0.615 . . . . 1.61 112.052 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.65 71.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.161 0.505 . . . . 1.1 110.909 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 14.0 m -87.61 -33.97 18.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.665 . . . . 1.14 109.741 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.75 -63.75 1.14 Allowed 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.421 -0.809 . . . . 1.1 110.793 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' 2063 ' ' LEU . 5.9 p -54.76 -39.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.072 -0.513 . . . . 1.38 111.215 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.483 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -60.55 -52.08 66.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 1.06 110.943 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.18 -27.45 64.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.986 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' 2074 ' ' VAL . . . -65.65 -55.36 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.86 -0.609 . . . . 1.07 110.6 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' 2083 ' ' ILE . 7.3 t -65.74 -27.42 68.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.444 0.64 . . . . 1.04 110.242 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -75.57 -19.64 59.15 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.028 -0.987 . . . . 1.17 110.733 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.7 m -83.08 -40.08 20.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.205 -0.452 . . . . 1.31 110.706 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.41 -40.33 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 1.48 110.01 -177.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.678 -0.692 . . . . 1.58 111.024 177.51 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' 2081 ' ' GLU . 10.6 m . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 108.209 -1.034 . . . . 1.9 108.209 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.29 -19.17 66.11 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.175 2.584 . . . . 0.74 111.988 -173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2081 ' ' GLU . . . . . 0.418 ' HB3' HG23 ' A' 2079 ' ' THR . 31.7 tt0 -63.33 -27.97 69.68 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 115.272 -0.876 . . . . 2.96 111.084 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 29.1 t -94.64 -0.53 54.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.838 -0.619 . . . . 2.08 111.137 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.483 HG21 ' HA ' ' A' 2068 ' ' ALA . 6.2 mm -78.91 100.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 110.082 -0.34 . . . . 1.24 110.082 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -78.78 123.89 85.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.179 0.514 . . . . 1.07 110.837 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 44.0 Cg_endo -63.86 -33.57 63.83 Favored 'Trans proline' 0 N--CA 1.472 0.209 0 C-N-CA 123.629 2.886 . . . . 0.43 113.533 -176.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.0 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.389 -0.369 . . . . 1.21 111.824 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.2 m -78.22 152.49 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.238 0.542 . . . . 1.06 110.707 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -91.31 141.69 28.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.543 -0.753 . . . . 1.11 109.528 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.434 ' O ' ' HB ' ' A' 2094 ' ' ILE . 13.1 m-85 -55.24 -28.57 54.21 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.136 0.272 . . . . 0.74 111.504 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -57.87 -33.87 69.16 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.37 0.605 . . . . 3.31 110.844 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -90.23 -29.13 18.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.219 -0.9 . . . . 1.88 111.192 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -22.26 66.8 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.079 -0.248 . . . . 1.33 111.502 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.92 -1.48 8.47 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.293 -0.956 . . . . 0.29 111.793 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' 2089 ' ' PHE . 33.2 mm -70.88 126.7 31.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.966 0.412 . . . . 1.09 111.577 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -107.78 -170.25 1.66 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.78 -1.193 . . . . 1.07 107.78 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -21.83 60.09 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.447 -1.301 . . . . 0.91 109.451 175.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 2100 ' ' LEU . 28.2 mt -64.52 -55.36 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.866 -1.061 . . . . 2.18 110.111 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.61 -12.32 58.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.356 -0.838 . . . . 1.08 112.05 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.84 -42.86 99.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 1.04 110.541 175.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -71.69 -38.48 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 1.14 110.33 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.543 ' N ' HD13 ' A' 2100 ' ' LEU . 6.2 mm-40 -59.14 -39.47 82.48 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.111 0.482 . . . . 0.72 110.688 176.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.6 OUTLIER -62.26 -49.86 74.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.095 -0.502 . . . . 1.34 110.404 176.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' 2099 ' ' ALA . 15.7 mtm180 -55.75 -43.4 76.61 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.226 0.536 . . . . 3.14 109.621 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' 2101 ' ' GLU . 96.0 m-20 -54.59 -42.33 70.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.966 -1.015 . . . . 0.48 111.355 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.6 m -75.56 -43.32 49.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.316 -0.402 . . . . 1.27 111.12 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' 2102 ' ' LEU . 81.0 mt -59.52 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.452 . . . . 1.73 110.837 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.616 HG22 ' O ' ' A' 2112 ' ' LEU . 12.4 m -66.18 -39.62 89.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.68 -0.691 . . . . 1.34 110.69 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -60.92 -29.19 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.832 -0.622 . . . . 3.58 111.095 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -85.11 -41.9 15.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.113 0.482 . . . . 3.21 111.097 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.438 ' HB ' HD11 ' A' 2112 ' ' LEU . 67.6 p -89.51 -31.23 17.74 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.838 0.681 . . . . 1.52 112.838 -169.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.09 0.66 89.19 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.324 -0.71 . . . . 1.05 111.324 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' 2107 ' ' THR . 23.1 mt -87.74 120.46 29.08 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.815 0.446 . . . . 1.99 110.959 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -54.01 142.23 25.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.638 -0.71 . . . . 1.18 110.538 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.514 ' C ' HD21 ' A' 2114 ' ' LEU . 0.0 OUTLIER -131.15 156.69 79.78 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.209 0.448 . . . . 3.41 112.209 -172.366 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' 2118 ' ' LEU . 40.6 Cg_endo -94.36 149.73 1.96 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.374 3.383 . . . . 1.36 112.433 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.06 -7.89 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.721 2.28 . . . . 0.94 112.167 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2117 ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' 2120 ' ' PHE . 3.7 p -100.9 4.42 42.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.433 -0.803 . . . . 1.42 110.583 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.8 -66.53 0.36 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.522 -0.763 . . . . 1.38 112.144 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.28 -21.27 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.45 0.643 . . . . 1.12 110.189 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2120 ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' 2117 ' ' THR . 9.3 t80 -60.52 -50.0 75.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.294 -0.866 . . . . 4.38 110.2 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.33 -45.0 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 2.0 112.077 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -125.93 68.43 63.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 C-N-CA 120.527 -0.469 . . . . 0.87 111.901 -171.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.404 ' C ' ' HG1' ' A' 2124 ' ' THR . 56.6 Cg_endo -81.61 103.87 1.41 Allowed 'Trans proline' 0 N--CA 1.442 -1.55 0 CA-C-N 120.604 1.251 . . . . 0.48 110.201 173.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.404 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -178.17 142.63 0.45 Allowed Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.991 -1.004 . . . . 1.12 108.949 176.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.42 ' O ' HG13 ' A' 2067 ' ' VAL . 34.9 Cg_exo -61.38 -56.43 0.86 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 121.683 1.588 . . . . 0.29 111.664 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2126 ' ' HIS . . . . . . . . . . . . . 78.0 t60 -61.39 -41.92 97.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.92 112.218 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.4 75.99 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.825 0.306 . . . . 1.1 111.825 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.74 -33.79 76.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.766 -0.374 . . . . 1.32 110.85 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.403 HG23 ' CB ' ' A' 2063 ' ' LEU . 66.0 m -54.62 -44.26 72.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.201 0.524 . . . . 1.1 109.757 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -66.82 -45.01 79.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.961 -1.018 . . . . 2.45 110.382 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.7 t60 -61.26 -51.22 69.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.71 110.858 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.19 -28.28 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.829 -0.348 . . . . 1.27 110.617 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -67.9 -31.35 71.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.116 0.484 . . . . 0.79 110.628 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 23.8 m -69.57 -24.29 63.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 1.38 110.446 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.5 ' HB3' HD22 ' A' 2112 ' ' LEU . 10.8 mmm180 . . . . . 0 CA--C 1.531 0.246 0 CA-C-N 116.064 -0.516 . . . . 3.81 111.692 -174.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.585 ' O ' HD12 ' A' 2063 ' ' LEU . 48.5 mt-30 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 109.434 -0.58 . . . . 2.83 109.434 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.07 -48.42 70.63 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.503 0.557 . . . . 1.39 112.503 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -61.7 -36.78 81.9 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.007 -0.677 . . . . 2.4 110.547 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 97.2 m -59.29 -60.35 4.0 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 1.48 110.732 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' 2059 ' ' GLN . 7.4 mp -57.69 -34.6 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 1.61 112.243 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.37 65.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 1.1 110.797 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 25.9 m -85.28 -35.67 21.36 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.014 -0.736 . . . . 1.14 109.014 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.437 HD23 ' ND2' ' A' 2109 ' ' ASN . 16.8 tp -56.95 -61.74 2.23 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.065 -0.971 . . . . 1.1 110.671 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -56.24 -39.51 60.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.146 -0.479 . . . . 1.38 111.561 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.27 -55.34 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 1.06 110.447 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.58 68.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.368 . . . . 1.0 110.609 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.69 -51.75 63.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.032 -0.531 . . . . 1.07 110.591 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.518 ' CG2' HD12 ' A' 2083 ' ' ILE . 4.1 t -74.73 -22.36 58.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.405 0.621 . . . . 1.04 110.167 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -72.61 -20.03 61.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.261 -0.881 . . . . 1.17 110.396 173.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.1 m -84.43 -31.11 24.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 1.31 110.542 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -78.26 -45.01 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.05 0.452 . . . . 1.48 109.83 -179.066 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.6 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.818 -0.628 . . . . 1.58 110.576 176.713 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.0 -0.741 . . . . 1.9 109.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.433 ' HA ' HD13 ' A' 2083 ' ' ILE . 18.8 Cg_exo -67.01 -19.21 51.97 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.511 2.141 . . . . 0.74 111.436 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.39 -50.25 31.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.981 -1.008 . . . . 2.96 112.472 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.4 t -99.33 13.65 32.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 2.08 111.627 -171.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.518 HD12 ' CG2' ' A' 2071 ' ' THR . 25.5 mt -86.28 93.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 1.24 110.07 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 41.1 m -72.26 133.91 83.05 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.653 -0.703 . . . . 1.07 111.054 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.495 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 52.8 Cg_endo -66.91 -32.05 36.75 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 123.609 2.872 . . . . 0.43 113.782 -172.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.34 -3.13 58.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.1 0.408 . . . . 1.21 112.1 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.8 m -84.91 151.63 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.156 0.503 . . . . 1.06 110.216 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -88.32 139.49 30.44 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.414 -0.812 . . . . 1.11 109.75 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.417 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 17.0 m-85 -58.15 -23.67 56.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.612 -0.267 . . . . 0.74 111.094 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -47.01 -61.21 1.98 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.87 0.843 . . . . 3.31 110.154 167.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.34 -29.86 69.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.127 -1.397 . . . . 1.88 111.588 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -22.78 62.89 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.808 -0.357 . . . . 1.33 111.903 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.13 11.76 8.05 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.108 -1.044 . . . . 0.29 113.007 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.482 HD11 ' OG1' ' A' 2071 ' ' THR . 26.9 mm -80.44 128.89 38.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.479 . . . . 1.09 111.976 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -110.99 -165.87 1.03 Allowed 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.528 -0.916 . . . . 1.07 108.528 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.11 -39.95 75.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.46 0.647 . . . . 0.91 110.119 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' 2100 ' ' LEU . 37.6 tp -55.97 -53.82 52.26 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.523 -1.217 . . . . 2.18 111.357 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.3 p -81.79 -13.58 57.52 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.958 -0.565 . . . . 1.08 112.159 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.516 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.18 -45.72 90.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 1.04 109.897 174.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -71.26 -36.23 71.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 1.14 110.621 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.481 ' N ' HD11 ' A' 2100 ' ' LEU . 9.1 mm-40 -60.41 -42.68 96.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.013 0.435 . . . . 0.72 111.367 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.418 HD22 HD12 ' A' 2106 ' ' LEU . 1.0 OUTLIER -60.14 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.608 -0.516 . . . . 1.34 109.608 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -54.61 -40.63 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.538 -0.755 . . . . 3.14 111.08 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -53.54 -50.07 66.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.48 110.859 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.5 m -66.44 -42.04 88.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 1.27 110.934 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.444 HD12 HD13 ' A' 2128 ' ' LEU . 93.1 mt -63.14 -45.92 89.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.049 -0.523 . . . . 1.73 110.836 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.441 HG21 ' O ' ' A' 2112 ' ' LEU . 99.7 m -61.38 -48.67 80.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.267 -0.879 . . . . 1.34 110.808 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -68.24 -27.6 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 3.58 111.129 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.437 ' ND2' HD23 ' A' 2066 ' ' LEU . 6.2 t30 -72.65 -40.83 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 3.21 110.923 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.6 p -85.38 -41.38 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.308 -0.406 . . . . 1.52 111.666 -175.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.46 -20.12 37.99 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.669 -0.777 . . . . 1.05 112.823 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.441 ' O ' HG21 ' A' 2107 ' ' THR . 2.3 pp -86.27 -175.87 5.68 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.754 0.311 . . . . 1.99 110.499 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -106.06 138.69 41.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.182 -0.463 . . . . 1.18 110.845 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 91.9 mt -121.38 139.61 29.96 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.615 -0.72 . . . . 3.41 110.105 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.493 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.7 Cg_endo -63.24 147.17 94.11 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.875 2.383 . . . . 1.36 111.75 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -62.15 -8.77 12.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.057 2.505 . . . . 0.94 112.358 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 5.6 p -100.95 3.38 41.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 1.42 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.6 tm? -36.71 -65.65 0.27 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.047 0.939 . . . . 1.38 112.709 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' 2099 ' ' ALA . 33.4 mm -76.56 -21.4 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.255 0.55 . . . . 1.12 110.741 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -69.66 -35.59 75.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.595 . . . . 4.38 110.195 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.45 -43.48 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 2.0 112.128 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -125.45 64.73 48.77 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-O 119.228 -0.415 . . . . 0.87 111.676 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -81.88 104.63 1.44 Allowed 'Trans proline' 0 N--CA 1.444 -1.417 0 CA-C-N 120.623 1.258 . . . . 0.48 110.953 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.7 138.39 0.4 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 114.797 -1.092 . . . . 1.12 108.501 171.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.495 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.7 Cg_exo -56.36 -57.24 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 121.835 1.69 . . . . 0.29 112.104 -175.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.616 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.0 t60 -67.55 -34.07 76.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.92 111.54 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.11 85.46 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.758 0.313 . . . . 1.1 110.957 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.444 HD13 HD12 ' A' 2106 ' ' LEU . 47.5 mt -60.06 -37.2 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 1.32 110.3 172.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -54.4 -44.25 72.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.01 -0.541 . . . . 1.1 110.409 174.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' 2126 ' ' HIS . 19.8 mt-30 -67.06 -47.41 71.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 2.45 109.815 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -58.61 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.936 -0.575 . . . . 0.71 110.907 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.4 -28.63 69.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.037 -0.529 . . . . 1.27 111.252 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.84 -31.09 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.576 -0.45 . . . . 0.79 109.987 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 65.8 m -70.31 -41.03 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 1.38 109.95 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 121.97 0.891 . . . . 3.81 109.231 172.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.564 ' O ' HD11 ' A' 2063 ' ' LEU . 6.5 mm100 . . . . . 0 C--O 1.219 -0.506 0 N-CA-C 111.452 0.167 . . . . 2.83 111.452 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -57.47 -43.92 84.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.663 -0.415 . . . . 1.39 111.994 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.38 -39.29 88.98 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.276 -0.57 . . . . 2.4 110.441 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.1 m -57.89 -59.8 4.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 1.48 110.881 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.573 ' O ' HG13 ' A' 2067 ' ' VAL . 6.6 mp -59.34 -37.73 78.57 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.232 0.613 . . . . 1.61 112.376 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.14 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.123 0.487 . . . . 1.1 110.735 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.2 m -86.39 -35.43 19.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 1.14 109.357 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.88 -62.93 1.5 Allowed 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.303 -0.862 . . . . 1.1 111.034 176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' 2063 ' ' LEU . 7.6 p -53.43 -41.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 123.289 0.368 . . . . 1.38 111.525 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' 2071 ' ' THR . . . -61.44 -55.07 35.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.406 . . . . 1.06 110.997 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.34 -36.48 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 1.0 110.477 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.699 ' O ' HG11 ' A' 2074 ' ' VAL . . . -58.17 -56.91 15.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.511 -0.768 . . . . 1.07 110.157 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.467 ' HB ' HD12 ' A' 2102 ' ' LEU . 8.7 t -65.08 -34.82 79.33 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.188 0.518 . . . . 1.04 110.821 -174.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.512 ' HB1' HD11 ' A' 2083 ' ' ILE . . . -73.32 -20.12 60.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.038 -0.528 . . . . 1.17 111.053 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 85.5 m -86.48 -40.45 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.246 0.341 . . . . 1.31 111.619 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -64.06 -34.88 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.59 0.71 . . . . 1.48 109.23 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 114.974 -1.012 . . . . 1.58 111.326 174.838 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 45.2 m . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 108.548 -0.908 . . . . 1.9 108.548 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 37.2 Cg_exo -59.08 -23.43 68.85 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.815 2.343 . . . . 0.74 112.851 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.32 -28.6 68.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.245 0.545 . . . . 2.96 110.364 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 46.9 t -81.18 -16.47 52.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.376 -0.829 . . . . 2.08 110.991 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.512 HD11 ' HB1' ' A' 2072 ' ' ALA . 22.0 mt -68.91 118.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.391 -0.822 . . . . 1.24 111.181 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.5 m -81.78 131.25 58.0 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.716 -0.675 . . . . 1.07 110.875 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.528 ' O ' ' HD2' ' A' 2125 ' ' PRO . 50.6 Cg_endo -64.77 -27.3 59.89 Favored 'Trans proline' 0 N--CA 1.472 0.226 0 C-N-CA 123.74 2.96 . . . . 0.43 113.647 -175.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.68 7.39 39.68 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.917 0.71 . . . . 1.21 112.917 -177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.7 m -95.02 150.2 20.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.504 0.668 . . . . 1.06 111.573 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.17 135.25 34.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.125 -0.943 . . . . 1.11 109.683 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.471 ' HB3' HG13 ' A' 2094 ' ' ILE . 24.7 m-85 -53.07 -29.99 33.49 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.218 0.821 . . . . 0.74 113.218 -177.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2090 ' ' LYS . . . . . 0.574 ' HD2' ' H ' ' A' 2090 ' ' LYS . 0.0 OUTLIER -56.44 -44.26 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.603 . . . . 3.31 109.682 175.012 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.23 -36.35 83.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.834 -1.076 . . . . 1.88 111.04 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -20.5 61.68 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.623 -0.262 . . . . 1.33 111.427 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.89 2.31 9.43 Favored Glycine 0 N--CA 1.454 -0.167 0 C-N-CA 120.48 -0.866 . . . . 0.29 112.482 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.471 HG13 ' HB3' ' A' 2089 ' ' PHE . 30.9 mm -68.23 131.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.898 0.38 . . . . 1.09 111.706 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -113.36 -161.62 0.77 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.897 -0.592 . . . . 1.07 109.569 174.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 15.6 p -64.03 -51.26 65.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.627 0.727 . . . . 0.91 111.187 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.793 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.6 mt -67.67 -53.97 23.4 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.575 -1.193 . . . . 2.18 111.003 -175.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -65.93 -16.25 63.7 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.613 -0.721 . . . . 1.08 112.329 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.431 ' HB3' ' HB ' ' A' 2119 ' ' ILE . . . -65.17 -47.96 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.78 -0.452 . . . . 1.04 109.78 171.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.3 pp -68.29 -38.01 81.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.381 -0.528 . . . . 1.14 109.674 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.533 ' N ' HD13 ' A' 2100 ' ' LEU . 6.1 mm-40 -59.05 -45.25 91.24 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.873 0.368 . . . . 0.72 111.55 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.467 HD12 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -57.53 -55.44 34.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.59 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.51 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 40.8 ptt85 -63.34 -33.17 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.728 -0.389 . . . . 3.14 110.045 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -52.98 -48.06 67.72 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.347 0.594 . . . . 0.48 109.986 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2105 ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' 2109 ' ' ASN . 17.8 m -63.92 -54.02 41.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.996 -1.002 . . . . 1.27 111.307 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 2.2 pp -70.79 -24.23 62.54 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.874 -0.331 . . . . 1.73 111.872 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.9 m -69.78 -53.44 18.31 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.293 0.568 . . . . 1.34 110.404 173.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.71 -24.79 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 3.58 110.942 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.3 t-20 -67.84 -35.33 78.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 3.21 111.096 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.7 p -98.1 -33.67 11.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.07 0.396 . . . . 1.52 112.07 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.71 14.58 21.07 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.757 -0.735 . . . . 1.05 111.896 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.19 -178.42 6.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.62 0.724 . . . . 1.99 112.671 -177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -130.87 115.42 16.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.282 -1.326 . . . . 1.18 108.338 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' 2118 ' ' LEU . 2.1 mp -123.23 155.17 65.21 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-O 121.183 0.516 . . . . 3.41 112.246 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' 2118 ' ' LEU . 68.2 Cg_endo -77.15 152.17 30.89 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.404 2.736 . . . . 1.36 112.385 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.51 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 55.5 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.95 2.433 . . . . 0.94 112.106 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 3.47 42.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 1.42 110.588 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' 2114 ' ' LEU . 2.0 tm? -37.65 -62.21 0.55 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.807 -1.088 . . . . 1.38 112.661 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' A' 2099 ' ' ALA . 41.7 mm -73.31 -25.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 1.12 110.912 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.02 -50.58 61.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.994 -0.548 . . . . 4.38 110.531 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.89 -38.9 64.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.63 -0.714 . . . . 2.0 112.616 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -129.8 64.97 73.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.218 -0.593 . . . . 0.87 111.344 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.483 ' C ' ' HG1' ' A' 2124 ' ' THR . 66.8 Cg_endo -81.96 103.88 1.36 Allowed 'Trans proline' 0 N--CA 1.445 -1.376 0 CA-C-N 120.349 1.16 . . . . 0.48 111.371 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.483 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -178.95 144.09 0.43 Allowed Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 124.373 1.069 . . . . 1.12 108.286 170.793 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.528 ' HD2' ' O ' ' A' 2085 ' ' PRO . 37.9 Cg_exo -57.76 -54.97 2.7 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 121.57 1.513 . . . . 0.29 112.004 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.508 ' O ' ' HB ' ' A' 2129 ' ' THR . 84.9 t60 -68.43 -34.97 76.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.463 -0.335 . . . . 0.92 111.581 -176.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.95 92.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.756 0.312 . . . . 1.1 110.894 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.53 -35.26 79.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.439 -0.346 . . . . 1.32 110.523 175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' 2126 ' ' HIS . 86.5 m -51.28 -52.16 47.63 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.348 0.594 . . . . 1.1 110.97 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -44.09 79.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.154 -0.93 . . . . 2.45 110.594 -177.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.752 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.7 t60 -59.04 -57.65 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.71 110.147 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.46 -33.48 72.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 1.27 111.423 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -64.02 -57.54 9.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.839 -0.43 . . . . 0.79 109.839 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 2.8 m -64.27 -22.87 67.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 1.38 111.866 -176.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.752 ' HG2' ' O ' ' A' 2131 ' ' HIS . 6.0 mmp_? . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.056 0.455 . . . . 3.81 111.008 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.623 ' O ' HD11 ' A' 2063 ' ' LEU . 47.1 mt-30 . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.594 -0.521 . . . . 2.83 109.594 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.72 -38.2 66.8 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.063 -0.517 . . . . 1.39 112.053 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.56 -55.3 36.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 2.4 110.085 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.3 m -50.7 -58.96 4.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.092 -0.958 . . . . 1.48 111.249 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.623 HD11 ' O ' ' A' 2059 ' ' GLN . 3.9 mp -54.73 -42.51 71.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.601 -0.727 . . . . 1.61 112.07 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.16 69.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.825 0.345 . . . . 1.1 111.083 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.5 m -80.01 -35.86 36.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.167 -0.679 . . . . 1.14 109.167 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.35 -63.22 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.828 -1.078 . . . . 1.1 110.918 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.536 HG11 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.17 -39.06 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 1.38 111.189 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -60.16 -53.24 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.03 -0.532 . . . . 1.06 111.078 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.477 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -64.61 -35.97 82.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.825 0.345 . . . . 1.0 110.478 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.67 ' O ' HG13 ' A' 2074 ' ' VAL . . . -59.98 -62.23 2.02 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.656 -0.702 . . . . 1.07 110.012 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2071 ' ' THR . . . . . . . . . . . . . 6.3 t -61.25 -32.54 72.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.2 -0.455 . . . . 1.04 111.416 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.406 ' HB2' HD12 ' A' 2083 ' ' ILE . . . -71.83 -26.61 62.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.183 -0.462 . . . . 1.17 111.213 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.8 m -88.34 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.114 0.259 . . . . 1.31 111.577 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.3 -37.85 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.633 0.73 . . . . 1.48 109.092 178.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 114.893 -1.048 . . . . 1.58 111.208 175.605 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.938 -0.393 . . . . 1.9 109.938 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.477 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 50.4 Cg_exo -56.66 -32.97 92.39 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.363 2.709 . . . . 0.74 112.615 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.18 -27.68 69.53 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.547 -0.751 . . . . 2.96 111.173 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.6 t -105.2 17.55 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 2.08 111.181 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.54 HG13 ' HB3' ' A' 2068 ' ' ALA . 3.9 mm -72.67 118.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.46 -0.571 . . . . 1.24 109.46 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.2 m -81.63 122.93 80.99 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.995 0.426 . . . . 1.07 110.808 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 55.3 Cg_endo -65.17 -31.04 54.87 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.897 3.065 . . . . 0.43 113.647 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.1 -15.06 59.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.288 0.477 . . . . 1.21 112.288 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.1 m -83.45 148.45 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 1.06 110.846 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.438 ' O ' HD23 ' A' 2092 ' ' LEU . . . -84.86 136.2 33.76 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.268 -0.878 . . . . 1.11 109.213 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2089 ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -49.5 -34.74 17.86 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.542 0.526 . . . . 0.74 111.414 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -49.24 61.21 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.518 -0.764 . . . . 3.31 110.648 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.65 -38.8 92.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.447 -0.797 . . . . 1.88 111.85 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' 2088 ' ' ALA . 1.0 OUTLIER -69.49 -21.14 63.71 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.131 -0.228 . . . . 1.33 111.364 -176.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.6 5.99 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.248 -0.977 . . . . 0.29 112.523 177.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2094 ' ' ILE . . . . . . . . . . . . . 27.9 mm -69.3 118.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.172 0.511 . . . . 1.09 111.339 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -93.73 -172.45 2.88 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.089 -1.078 . . . . 1.07 108.089 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.03 -21.58 54.32 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 119.655 -0.818 . . . . 0.91 109.29 174.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' 2100 ' ' LEU . 17.6 mt -71.55 -50.07 34.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.595 -1.184 . . . . 2.18 110.504 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -14.48 58.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.665 -0.698 . . . . 1.08 112.136 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 1.04 110.609 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -73.09 -36.74 66.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.122 -0.49 . . . . 1.14 110.451 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.47 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -62.24 -40.43 96.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.72 111.209 178.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.413 HD23 ' CB ' ' A' 2070 ' ' ALA . 1.1 tt -56.48 -54.98 39.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 1.34 109.635 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -55.12 -47.77 74.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.01 -0.995 . . . . 3.14 110.233 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -50.02 -46.48 52.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 0.48 110.83 177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 22.8 m -65.31 -52.97 50.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 1.27 111.536 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' 2107 ' ' THR . 3.2 pp -70.32 -28.59 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 1.73 111.602 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.537 ' N ' HD13 ' A' 2106 ' ' LEU . 92.5 m -65.6 -46.01 80.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.22 0.533 . . . . 1.34 110.124 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 77.8 t60 -63.99 -32.41 73.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.598 -0.728 . . . . 3.58 111.143 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -82.05 -28.38 32.46 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.148 0.425 . . . . 3.21 112.148 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 29.3 p -90.44 -39.69 12.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 1.52 111.153 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 107.79 -30.36 9.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.902 -0.666 . . . . 1.05 112.324 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.2 pp -93.18 157.99 15.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.793 0.33 . . . . 1.99 110.349 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.54 123.96 34.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.786 -170.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.439 HD13 ' HE2' ' A' 2131 ' ' HIS . 2.6 mm? -104.9 144.08 28.0 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 3.41 110.336 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.18 143.78 84.9 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.018 2.478 . . . . 1.36 112.611 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.87 -10.67 18.1 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.09 2.527 . . . . 0.94 111.894 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.9 p -88.6 5.36 43.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 1.42 111.42 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2118 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -34.57 -70.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.773 0.657 . . . . 1.38 112.773 170.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 12.0 mm -81.29 -0.17 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 122.017 0.913 . . . . 1.12 109.819 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 4.7 t80 -83.66 -47.14 11.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.899 -1.046 . . . . 4.38 109.221 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.92 -42.22 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.698 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -121.81 58.66 9.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 119.074 -0.488 . . . . 0.87 111.786 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.426 ' C ' ' HG1' ' A' 2124 ' ' THR . 71.6 Cg_endo -81.7 104.28 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 CA-C-N 120.905 1.359 . . . . 0.48 111.315 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.426 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.75 146.87 0.61 Allowed Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.672 -1.233 . . . . 1.12 107.672 171.454 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.443 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.7 Cg_exo -57.8 -52.03 6.87 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.449 1.433 . . . . 0.29 111.227 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.622 ' O ' ' HG3' ' A' 2130 ' ' GLN . 81.3 t60 -66.08 -37.15 85.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.819 -0.628 . . . . 0.92 111.156 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2127 ' ' ALA . . . . . 0.443 ' HA ' ' OE1' ' A' 2130 ' ' GLN . . . -66.3 -39.19 89.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.556 -0.293 . . . . 1.1 111.451 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.07 -40.1 94.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.688 -0.486 . . . . 1.32 109.688 172.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -52.49 -41.86 63.77 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.348 0.405 . . . . 1.1 110.296 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' 2126 ' ' HIS . 32.2 mt-30 -63.47 -48.99 75.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 2.45 109.953 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.439 ' HE2' HD13 ' A' 2114 ' ' LEU . 81.5 t60 -61.56 -49.57 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.71 110.74 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' 2135 ' ' ARG . 3.6 mm? -62.93 -32.39 73.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.678 -0.692 . . . . 1.27 110.635 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -72.82 -33.52 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.06 -0.348 . . . . 0.79 110.06 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 33.0 m -64.44 -30.8 71.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.082 -0.508 . . . . 1.38 109.935 176.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' 2132 ' ' LEU . 8.8 mmm180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 3.81 111.296 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.556 ' O ' HD13 ' A' 2063 ' ' LEU . 6.5 mt-30 . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 120.328 0.109 . . . . 2.83 110.925 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -54.53 -41.05 69.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.507 0.558 . . . . 1.39 112.507 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -67.54 -40.66 85.01 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.429 -0.509 . . . . 2.4 110.887 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 94.3 m -57.18 -58.57 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 1.48 110.746 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' 2059 ' ' GLN . 6.3 mp -61.51 -35.4 77.6 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.077 -0.965 . . . . 1.61 112.099 -177.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.36 -27.58 68.67 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.994 0.426 . . . . 1.1 110.807 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 31.6 m -85.55 -32.82 21.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.902 -0.59 . . . . 1.14 109.411 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.51 -63.03 1.45 Allowed 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.46 -0.791 . . . . 1.1 110.534 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' 2063 ' ' LEU . 6.1 p -54.89 -38.54 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.933 -0.576 . . . . 1.38 111.216 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.35 -52.1 67.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 1.06 110.832 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.71 -27.51 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.876 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' 2074 ' ' VAL . . . -62.28 -55.31 29.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.018 -0.537 . . . . 1.07 110.015 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.496 ' CG2' HD12 ' A' 2083 ' ' ILE . 5.5 t -70.54 -28.35 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 1.04 110.304 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -67.99 -15.01 63.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.653 -0.703 . . . . 1.17 110.569 174.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 55.1 m -90.25 -36.17 14.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.131 -0.486 . . . . 1.31 111.178 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -82.05 -39.19 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.074 0.464 . . . . 1.48 110.464 -176.316 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.409 HD13 HG12 ' A' 2094 ' ' ILE . 56.6 mt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.734 -0.667 . . . . 1.58 111.463 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.093 0.473 . . . . 1.9 111.713 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.12 -15.01 35.61 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.621 2.214 . . . . 0.74 110.699 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -69.73 -39.03 77.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.332 -1.304 . . . . 2.96 110.698 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.8 m -82.22 0.15 42.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.075 -0.966 . . . . 2.08 110.988 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.496 HD12 ' CG2' ' A' 2071 ' ' THR . 8.1 mm -80.56 102.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.746 -0.661 . . . . 1.24 110.261 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 32.0 m -84.5 129.83 55.96 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.919 0.39 . . . . 1.07 110.006 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.464 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.9 Cg_endo -65.78 -30.9 49.48 Favored 'Trans proline' 0 N--CA 1.472 0.241 0 C-N-CA 123.724 2.949 . . . . 0.43 113.758 -171.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.1 -9.92 55.81 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.95 0.352 . . . . 1.21 111.95 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 4.5 m -83.22 152.92 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.367 0.604 . . . . 1.06 110.781 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -89.19 140.21 29.7 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.028 -0.987 . . . . 1.11 109.72 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.424 ' HB3' HG13 ' A' 2094 ' ' ILE . 16.1 m-85 -57.2 -24.43 54.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.74 111.869 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.04 -65.1 0.61 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.12 0.486 . . . . 3.31 110.28 168.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -27.31 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.008 -0.996 . . . . 1.88 112.893 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.76 -22.55 56.35 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.591 -0.444 . . . . 1.33 111.833 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.92 -0.47 9.14 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.213 -0.994 . . . . 0.29 113.151 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' 2089 ' ' PHE . 28.1 mm -68.62 124.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.158 0.504 . . . . 1.09 112.126 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -103.2 -165.75 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.064 -1.087 . . . . 1.07 108.064 170.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -31.78 62.88 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.58 0.705 . . . . 0.91 109.502 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' 2100 ' ' LEU . 19.9 mt -60.86 -50.67 72.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.39 -1.277 . . . . 2.18 110.453 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.4 p -86.16 -10.44 54.77 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.243 -0.889 . . . . 1.08 111.968 -178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.71 92.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 1.04 109.966 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -76.67 -37.19 56.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.284 -0.416 . . . . 1.14 110.61 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.8 mm-40 -63.76 -42.23 97.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.317 . . . . 0.72 111.641 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.459 HD11 ' HB ' ' A' 2071 ' ' THR . 1.1 tt -60.19 -53.64 55.29 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.876 -0.416 . . . . 1.34 109.876 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.545 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 39.2 ttp-105 -54.46 -41.42 69.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.751 -0.659 . . . . 3.14 110.865 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.4 m-20 -50.6 -49.02 57.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.48 110.935 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.3 m -64.47 -42.22 96.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.743 -0.662 . . . . 1.27 110.593 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.8 -40.34 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 1.73 111.178 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 7.0 m -72.37 -28.56 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.599 . . . . 1.34 109.966 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -74.49 -24.34 59.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.571 -0.74 . . . . 3.58 110.657 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.43 -51.74 68.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.214 0.531 . . . . 3.21 111.041 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.404 ' OG1' ' HG ' ' A' 2112 ' ' LEU . 15.0 p -105.83 -14.32 15.26 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.464 -0.789 . . . . 1.52 112.758 -169.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 76.94 -7.61 34.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.53 -0.843 . . . . 1.05 112.813 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.404 ' HG ' ' OG1' ' A' 2110 ' ' THR . 2.9 pp -78.36 -171.77 2.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.192 -0.299 . . . . 1.99 110.192 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -102.15 141.48 34.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 120.794 0.331 . . . . 1.18 110.208 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.9 tp -137.55 132.57 17.65 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.897 -0.592 . . . . 3.41 109.404 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.594 ' O ' ' HB2' ' A' 2118 ' ' LEU . 31.4 Cg_endo -63.94 141.88 79.42 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.13 2.553 . . . . 1.36 112.453 -176.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.545 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 26.0 Cg_exo -60.15 -21.29 65.42 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.931 2.421 . . . . 0.94 111.753 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.1 p -84.02 2.65 38.05 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.323 -0.853 . . . . 1.42 111.212 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -41.18 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.439 -0.8 . . . . 1.38 112.664 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 31.2 mm -75.2 -18.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.394 0.616 . . . . 1.12 110.385 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.39 -39.73 74.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.573 -0.739 . . . . 4.38 110.06 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -43.02 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.46 -0.791 . . . . 2.0 111.912 -173.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -123.4 65.24 30.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.87 111.401 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -81.6 104.41 1.46 Allowed 'Trans proline' 0 N--CA 1.444 -1.387 0 CA-C-N 120.451 1.197 . . . . 0.48 110.825 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.13 137.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 114.625 -1.17 . . . . 1.12 108.606 174.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' 2085 ' ' PRO . 31.3 Cg_exo -59.22 -54.76 2.34 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.835 1.69 . . . . 0.29 112.307 -177.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.585 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.4 t60 -69.84 -31.15 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.92 111.474 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -71.83 -43.91 64.78 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.105 -0.238 . . . . 1.1 110.966 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.56 -38.92 72.59 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.29 . . . . 1.32 110.433 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' 2126 ' ' HIS . 94.5 m -49.07 -53.23 21.38 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.629 -0.714 . . . . 1.1 110.91 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -64.05 -35.56 81.12 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.214 -0.903 . . . . 2.45 111.39 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' 2135 ' ' ARG . 72.7 t60 -67.47 -52.95 33.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.908 0.385 . . . . 0.71 110.95 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.99 -28.8 70.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.038 -0.528 . . . . 1.27 110.339 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.74 -42.49 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.79 109.885 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 89.5 m -61.21 -33.98 74.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.878 -0.601 . . . . 1.38 110.973 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' 2131 ' ' HIS . 17.6 mmm180 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 3.81 110.795 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.546 ' O ' HD11 ' A' 2063 ' ' LEU . 20.0 mm-40 . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 110.503 -0.184 . . . . 2.83 110.503 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -54.2 -39.0 66.27 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 113.055 0.761 . . . . 1.39 113.055 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2061 ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' 2062 ' ' THR . 3.6 pt20 -66.17 -43.64 86.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.805 -0.758 . . . . 2.4 110.233 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' 2061 ' ' GLN . 91.2 m -57.4 -60.19 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.21 0.528 . . . . 1.48 110.722 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.546 HD11 ' O ' ' A' 2059 ' ' GLN . 5.4 mp -58.38 -36.16 73.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.309 -0.86 . . . . 1.61 112.063 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.1 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 1.1 110.875 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.6 m -79.89 -29.88 40.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 1.14 109.06 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.54 -64.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.948 -1.024 . . . . 1.1 110.638 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' 2063 ' ' LEU . 7.5 p -54.29 -40.49 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.953 -0.567 . . . . 1.38 111.541 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -59.36 -51.56 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.161 -0.472 . . . . 1.06 111.042 175.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.458 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.29 -30.48 69.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.811 0.339 . . . . 1.0 110.542 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.719 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.05 -63.01 1.44 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.03 -0.532 . . . . 1.07 109.643 177.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.423 ' HB ' HD13 ' A' 2102 ' ' LEU . 10.6 t -60.04 -35.38 74.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 1.04 111.18 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -70.37 -27.38 64.29 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.758 -0.656 . . . . 1.17 111.536 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.8 m -90.14 -36.1 15.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.119 0.414 . . . . 1.31 112.119 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -60.21 -33.93 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.827 -0.805 . . . . 1.48 108.827 178.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.423 HD21 HG23 ' A' 2098 ' ' THR . 58.7 mt . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 114.708 -1.133 . . . . 1.58 110.882 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 26.4 m . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.529 -0.545 . . . . 1.9 109.529 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.458 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 14.8 Cg_exo -67.76 -26.03 39.17 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 122.718 2.279 . . . . 0.74 110.956 -173.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.94 -19.37 65.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.341 -1.299 . . . . 2.96 110.569 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.1 t -110.46 14.7 22.49 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.474 -0.785 . . . . 2.08 111.168 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.517 HG13 ' HB1' ' A' 2068 ' ' ALA . 4.3 mm -79.48 118.9 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 O-C-N 122.043 -0.411 . . . . 1.24 110.116 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' 2125 ' ' PRO . 22.5 m -81.3 129.23 67.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 121.096 0.474 . . . . 1.07 111.029 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.49 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 74.2 Cg_endo -69.96 -33.07 16.54 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.587 2.858 . . . . 0.43 114.359 -174.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.17 -13.47 58.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.006 0.372 . . . . 1.21 112.006 -174.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.5 m -80.48 154.74 27.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.253 0.549 . . . . 1.06 110.884 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.484 ' O ' HD21 ' A' 2092 ' ' LEU . . . -88.81 141.71 28.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.58 -0.736 . . . . 1.11 109.88 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.458 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.4 m-85 -55.65 -28.72 56.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.739 0.304 . . . . 0.74 110.835 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -51.42 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.459 -0.791 . . . . 3.31 110.069 171.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.14 -35.08 66.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.459 -1.246 . . . . 1.88 111.78 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' 2088 ' ' ALA . 0.5 OUTLIER -67.62 -21.21 65.4 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 121.1 -0.24 . . . . 1.33 111.4 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.17 10.82 5.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.29 112.563 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 35.3 mm -81.17 126.23 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.809 0.337 . . . . 1.09 111.27 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.18 -169.32 1.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.188 -1.041 . . . . 1.07 108.188 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -24.45 62.16 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.938 -0.705 . . . . 0.91 110.025 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.59 ' O ' ' HG ' ' A' 2100 ' ' LEU . 46.5 mt -66.11 -54.92 19.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.019 -0.991 . . . . 2.18 110.477 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.423 HG23 HD21 ' A' 2075 ' ' LEU . 2.7 p -82.22 -14.09 56.07 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.036 -0.983 . . . . 1.08 112.287 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.99 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.885 0.374 . . . . 1.04 110.515 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.4 pp -75.33 -35.98 61.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.747 -0.381 . . . . 1.14 110.715 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' 2104 ' ' ASN . 6.7 mm-40 -63.9 -40.28 96.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.72 110.964 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.8 OUTLIER -61.2 -53.26 59.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 1.34 110.402 175.044 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.416 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 46.8 ttp85 -52.93 -39.92 63.23 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.038 -0.528 . . . . 3.14 110.748 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' 2101 ' ' GLU . 75.4 m-20 -51.98 -53.41 41.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.48 110.945 175.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.9 m -61.94 -45.21 94.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.363 . . . . 1.27 110.972 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.9 mt -60.6 -38.98 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 1.73 111.448 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 62.7 m -67.91 -32.96 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.0 -0.545 . . . . 1.34 111.065 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 7.5 m170 -68.63 -19.38 64.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 3.58 111.771 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.32 -30.87 65.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.008 0.433 . . . . 3.21 111.181 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2110 ' ' THR . . . . . 0.46 ' HB ' ' HG ' ' A' 2112 ' ' LEU . 25.6 p -111.93 -25.72 9.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.519 0.563 . . . . 1.52 112.519 -176.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 75.71 5.81 79.89 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.73 -0.748 . . . . 1.05 111.392 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.46 ' HG ' ' HB ' ' A' 2110 ' ' THR . 51.9 mt -78.78 -167.94 1.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.823 -0.689 . . . . 1.99 110.709 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 39.1 t70 -122.81 96.51 5.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.713 0.768 . . . . 1.18 110.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.44 133.26 33.33 Favored Pre-proline 0 C--N 1.31 -1.118 0 CA-C-N 114.385 -1.28 . . . . 3.41 109.777 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.508 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.3 Cg_endo -61.37 144.28 98.28 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 C-N-CA 123.107 2.538 . . . . 1.36 111.877 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.416 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 14.4 Cg_endo -59.06 -9.38 7.87 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.899 2.4 . . . . 0.94 112.383 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.8 p -93.57 3.43 55.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.025 -0.534 . . . . 1.42 110.803 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -39.49 -69.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.871 0.869 . . . . 1.38 112.249 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.92 -20.26 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.444 0.64 . . . . 1.12 110.457 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -31.57 65.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.599 -0.728 . . . . 4.38 110.63 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.8 -39.58 10.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.753 -0.658 . . . . 2.0 112.11 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -130.66 65.56 76.6 Favored Pre-proline 0 N--CA 1.465 0.304 0 C-N-CA 120.578 -0.449 . . . . 0.87 111.513 -174.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -81.07 104.5 1.55 Allowed 'Trans proline' 0 N--CA 1.442 -1.504 0 CA-C-N 120.45 1.196 . . . . 0.48 110.584 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.43 138.31 0.41 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.761 -1.109 . . . . 1.12 108.858 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.49 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 40.7 Cg_exo -57.31 -58.27 0.95 Allowed 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 121.959 1.773 . . . . 0.29 112.542 -177.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.64 ' O ' ' HB ' ' A' 2129 ' ' THR . 85.0 t60 -70.4 -34.54 72.67 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.793 0.294 . . . . 0.92 111.793 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.52 89.72 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.972 -0.291 . . . . 1.1 111.251 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.412 HD12 ' CD1' ' A' 2106 ' ' LEU . 37.6 mt -57.58 -39.75 77.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.576 -0.284 . . . . 1.32 110.459 171.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' 2126 ' ' HIS . 93.2 m -52.45 -42.7 64.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.953 -0.567 . . . . 1.1 110.461 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' 2126 ' ' HIS . 55.6 mt-30 -64.14 -44.65 91.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.343 -0.844 . . . . 2.45 110.487 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 21.0 t60 -61.56 -52.95 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.71 110.902 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.03 -30.31 70.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.726 -0.389 . . . . 1.27 110.163 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -61.1 -35.76 77.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.741 0.305 . . . . 0.79 110.603 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 12.5 m -69.73 -41.99 74.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 1.38 110.045 175.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 115.888 -0.597 . . . . 3.81 111.482 179.228 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.706 ' O ' ' HG ' ' A' 2063 ' ' LEU . 23.9 mt-30 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.718 -0.105 . . . . 2.83 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -50.43 -40.64 50.95 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 112.936 0.717 . . . . 1.39 112.936 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.38 -45.16 88.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.23 0.456 . . . . 2.4 112.23 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2062 ' ' THR . . . . . 0.435 HG21 ' O ' ' A' 2059 ' ' GLN . 9.5 t -71.52 -16.74 62.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.243 0.544 . . . . 1.48 110.91 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' 2059 ' ' GLN . 14.9 mt -88.51 -38.18 15.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.203 -0.453 . . . . 1.61 109.957 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.11 69.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.512 -0.767 . . . . 1.1 109.869 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 63.7 m -74.21 -30.28 62.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.423 -0.808 . . . . 1.14 109.713 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 17.6 tp -70.85 -63.74 1.04 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.773 -0.649 . . . . 1.1 110.583 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' 2063 ' ' LEU . 5.7 p -53.92 -40.08 43.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.003 -0.544 . . . . 1.38 111.959 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.0 -52.94 61.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 1.06 110.603 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.78 71.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 1.0 110.532 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' 2074 ' ' VAL . . . -61.93 -59.72 4.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.575 -0.739 . . . . 1.07 110.506 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.575 ' CG2' HD11 ' A' 2083 ' ' ILE . 3.8 t -69.12 -27.81 65.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 1.04 110.565 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -64.57 -36.1 83.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.698 -0.683 . . . . 1.17 110.412 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -68.86 -34.0 74.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.226 0.536 . . . . 1.31 110.493 177.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' 2070 ' ' ALA . 2.2 t -72.5 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.753 -0.658 . . . . 1.48 111.008 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.514 HD11 HD13 ' A' 2094 ' ' ILE . 8.1 mp . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.819 -0.628 . . . . 1.58 111.493 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 109.699 -0.482 . . . . 1.9 109.699 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' 2083 ' ' ILE . 2.7 Cg_exo -74.37 -18.48 20.41 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.612 2.208 . . . . 0.74 110.295 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.61 -35.69 76.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.075 -1.421 . . . . 2.96 111.134 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -99.53 6.29 45.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.811 -0.631 . . . . 2.08 111.24 -173.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.575 HD11 ' CG2' ' A' 2071 ' ' THR . 37.1 mt -87.12 96.97 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 1.24 110.362 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 22.1 m -81.14 132.27 56.93 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.479 -0.782 . . . . 1.07 110.631 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.446 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 60.6 Cg_endo -68.86 -25.94 32.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.411 2.74 . . . . 0.43 112.934 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.49 -24.18 60.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 1.21 111.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.0 m -84.42 156.48 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 1.06 110.334 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -96.58 147.26 24.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.116 -0.493 . . . . 1.11 110.375 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.412 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 11.7 m-85 -53.25 -33.17 51.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.921 0.391 . . . . 0.74 110.905 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.06 -44.4 67.44 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.364 -0.834 . . . . 3.31 110.684 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.64 -30.86 36.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.636 -1.165 . . . . 1.88 111.921 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -22.74 63.08 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.795 0.294 . . . . 1.33 111.795 -178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 126.48 18.39 2.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 119.901 -1.143 . . . . 0.29 113.0 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.514 HD13 HD11 ' A' 2075 ' ' LEU . 29.2 mm -89.5 130.62 38.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.025 0.44 . . . . 1.09 111.413 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.89 -165.27 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.125 -1.065 . . . . 1.07 108.125 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -25.65 62.87 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.6 -0.84 . . . . 0.91 110.01 176.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.8 mt -65.15 -60.59 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.959 -1.019 . . . . 2.18 110.43 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.419 HG22 HG13 ' A' 2074 ' ' VAL . 1.1 p -73.78 -17.82 61.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.13 -0.941 . . . . 1.08 112.083 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.83 -42.75 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.954 0.407 . . . . 1.04 110.769 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -78.07 -35.4 49.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.59 -0.444 . . . . 1.14 110.203 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.3 mm-40 -62.86 -40.67 98.18 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.231 0.539 . . . . 0.72 110.891 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.32 -53.31 50.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.741 -0.663 . . . . 1.34 109.693 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 40.4 ttp-105 -54.3 -41.59 69.13 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.595 -0.73 . . . . 3.14 110.811 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.5 m-20 -50.14 -50.38 48.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.992 0.425 . . . . 0.48 110.809 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.3 m -66.21 -45.44 80.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 1.27 110.851 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.67 -42.38 88.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 1.73 111.208 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 28.1 m -62.36 -44.48 96.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.101 0.477 . . . . 1.34 110.563 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.07 -26.46 65.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.828 -0.624 . . . . 3.58 110.987 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -93.36 -4.6 51.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.238 -0.437 . . . . 3.21 111.598 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 21.0 p -110.63 -27.56 8.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.583 -0.281 . . . . 1.52 111.24 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.21 -14.12 46.53 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 121.065 -0.588 . . . . 1.05 112.847 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.4 pp -103.57 -170.14 1.74 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.92 0.391 . . . . 1.99 110.763 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -118.33 117.82 30.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.075 -0.511 . . . . 1.18 110.584 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.63 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -119.86 177.27 1.44 Allowed Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.578 -0.737 . . . . 3.41 109.364 179.784 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.63 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.8 Cg_endo -88.33 153.29 6.67 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.296 1.997 . . . . 1.36 112.934 -170.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.44 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 12.6 Cg_exo -68.25 -15.59 42.78 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.892 2.395 . . . . 0.94 111.431 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -83.5 -0.78 51.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.141 -0.936 . . . . 1.42 110.864 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -34.46 -67.03 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.972 -1.013 . . . . 1.38 112.83 176.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2099 ' ' ALA . 34.1 mm -79.31 -20.41 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.102 0.477 . . . . 1.12 110.803 -175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -67.02 -47.84 70.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.336 0.589 . . . . 4.38 110.042 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -81.11 -42.45 20.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.95 . . . . 2.0 112.167 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -127.06 63.09 55.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 C-N-CA 120.369 -0.532 . . . . 0.87 111.836 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -81.82 104.37 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 CA-C-N 120.39 1.175 . . . . 0.48 111.299 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.26 148.31 0.73 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 114.971 -1.013 . . . . 1.12 108.318 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.61 -54.51 0.74 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 121.711 1.608 . . . . 0.29 111.212 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.615 ' O ' ' HB ' ' A' 2129 ' ' THR . 76.2 t60 -67.42 -31.35 71.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.92 111.907 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -74.69 -41.16 60.74 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.816 -0.354 . . . . 1.1 111.567 -175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.92 -35.96 78.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.637 -0.505 . . . . 1.32 109.637 172.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' 2126 ' ' HIS . 95.5 m -53.11 -37.25 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.146 -0.933 . . . . 1.1 110.807 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' 2133 ' ' HIS . 16.4 mt-30 -73.89 -36.94 64.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 2.45 110.445 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -70.56 -43.35 69.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.71 110.812 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.28 -20.08 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.469 -0.493 . . . . 1.27 110.41 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2133 ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' 2130 ' ' GLN . 14.2 t-80 -62.18 -38.47 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.5 -0.555 . . . . 0.79 109.5 172.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 32.2 m -63.88 -38.84 92.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.612 -0.722 . . . . 1.38 110.726 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.041 0.448 . . . . 3.81 110.884 -178.358 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.61 ' O ' HD11 ' A' 2063 ' ' LEU . 69.7 mt-30 . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 110.397 -0.223 . . . . 2.83 110.397 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -51.43 -51.36 55.49 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 112.771 0.656 . . . . 1.39 112.771 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -60.43 -39.02 85.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.196 -0.602 . . . . 2.4 110.672 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 72.6 m -59.25 -59.33 5.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 1.48 110.601 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.61 HD11 ' O ' ' A' 2059 ' ' GLN . 6.7 mp -55.22 -38.42 68.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.896 -0.593 . . . . 1.61 111.881 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.58 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 1.1 111.016 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.3 m -85.92 -34.48 20.91 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.297 -0.631 . . . . 1.14 109.297 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.82 -62.24 2.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 1.1 110.465 174.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' 2063 ' ' LEU . 10.2 p -58.05 -38.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.623 -0.717 . . . . 1.38 111.601 -178.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.25 70.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.098 -0.334 . . . . 1.06 110.098 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.683 0.278 . . . . 1.0 110.732 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.21 -50.87 64.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.403 -0.362 . . . . 1.07 111.173 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.639 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -76.16 -18.38 59.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.455 0.645 . . . . 1.04 110.274 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -73.73 -39.74 64.07 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.486 -0.779 . . . . 1.17 110.357 170.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.6 m -65.22 -35.85 82.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.748 0.309 . . . . 1.31 111.64 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' 2071 ' ' THR . 0.1 OUTLIER -73.72 -60.77 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 1.48 111.693 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2075 ' ' LEU . . . . . 0.44 ' H ' HG23 ' A' 2074 ' ' VAL . 9.7 mp . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 1.58 112.008 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.46 0.066 0 N-CA-C 110.54 -0.17 . . . . 1.9 110.54 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.489 ' HA ' ' CD1' ' A' 2083 ' ' ILE . 10.9 Cg_exo -71.87 -19.65 26.88 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.804 2.336 . . . . 0.74 111.973 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.39 -37.31 85.24 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.193 -0.912 . . . . 2.96 112.087 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -100.05 18.77 17.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 2.08 111.118 -173.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.639 HD13 ' CG2' ' A' 2071 ' ' THR . 20.0 mt -96.41 90.0 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 121.547 0.689 . . . . 1.24 110.585 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.9 m -75.65 127.81 85.07 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.012 -0.995 . . . . 1.07 110.576 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -61.54 -30.8 86.8 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.887 3.058 . . . . 0.43 113.404 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -72.91 -16.75 61.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.417 -0.356 . . . . 1.21 111.796 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.2 m -91.05 156.48 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 1.06 111.136 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -93.41 141.71 28.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.411 -0.813 . . . . 1.11 109.937 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.563 ' HB3' ' CG1' ' A' 2094 ' ' ILE . 8.6 m-30 -56.06 -26.76 50.6 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.74 111.63 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -52.69 -58.51 6.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.472 0.483 . . . . 3.31 109.961 172.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.59 -41.16 76.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.686 -0.688 . . . . 1.88 111.724 174.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.72 -23.67 64.38 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.088 0.403 . . . . 1.33 112.088 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 131.0 -2.74 5.57 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 119.624 -1.274 . . . . 0.29 114.659 174.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.563 ' CG1' ' HB3' ' A' 2089 ' ' PHE . 15.7 mm -60.22 121.86 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 117.669 0.734 . . . . 1.09 111.131 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -104.57 -163.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 1.07 109.584 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -69.43 -34.26 74.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.425 0.631 . . . . 0.91 110.413 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.629 ' O ' ' HG ' ' A' 2100 ' ' LEU . 50.3 mt -73.87 -60.08 2.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.066 -0.97 . . . . 2.18 110.864 -176.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.5 p -67.28 -11.23 56.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.14 -0.937 . . . . 1.08 112.709 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.94 95.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 1.04 110.636 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -82.67 -37.29 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.446 -0.502 . . . . 1.14 110.55 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.1 mm-40 -62.07 -40.55 96.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.958 0.408 . . . . 0.72 111.231 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' 2094 ' ' ILE . 1.8 tt -59.04 -55.11 39.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.336 -0.616 . . . . 1.34 109.336 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.415 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 35.7 ttp-105 -54.76 -42.09 71.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.924 -1.035 . . . . 3.14 110.858 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -51.63 -40.92 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.045 0.45 . . . . 0.48 110.943 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 23.0 m -72.8 -45.6 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 1.27 110.517 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -45.6 90.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.032 -0.531 . . . . 1.73 111.723 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.7 m -59.49 -40.42 86.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.263 0.554 . . . . 1.34 110.231 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.11 -28.22 63.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.537 -0.756 . . . . 3.58 111.142 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -88.86 -10.83 46.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 3.21 111.368 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 31.7 p -106.63 -39.98 5.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.999 -0.546 . . . . 1.52 110.852 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.75 60.26 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.84 -0.695 . . . . 1.05 112.779 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.0 pp -92.37 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.812 0.339 . . . . 1.99 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.78 119.16 34.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.23 0.538 . . . . 1.18 111.176 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.622 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -122.97 177.74 1.55 Allowed Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.208 -0.906 . . . . 3.41 109.229 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.622 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 51.7 Cg_endo -90.07 155.11 4.8 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.567 2.178 . . . . 1.36 112.802 -171.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.415 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 32.8 Cg_endo -65.72 -10.83 28.09 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.843 2.362 . . . . 0.94 111.961 176.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -92.94 2.56 56.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.855 -0.611 . . . . 1.42 110.724 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.5 tm? -36.36 -70.06 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.974 0.909 . . . . 1.38 113.002 177.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 37.5 mm -77.96 -20.95 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 121.388 0.613 . . . . 1.12 110.343 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.08 -34.72 78.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.465 -0.789 . . . . 4.38 110.196 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2121 ' ' ASP . . . . . 0.416 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 7.5 t70 -94.69 -45.7 7.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.634 -0.712 . . . . 2.0 111.171 -176.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2122 ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 2.2 m-70 -121.25 63.94 13.39 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.798 -0.361 . . . . 0.87 111.715 -172.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' 2089 ' ' PHE . 60.9 Cg_endo -80.34 104.69 1.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 CA-C-N 120.466 1.202 . . . . 0.48 109.83 176.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.442 ' OG1' ' HB1' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.15 144.68 0.58 Allowed Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.891 -1.049 . . . . 1.12 109.005 -175.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.25 -60.36 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 121.515 1.477 . . . . 0.29 112.224 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.61 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.5 t60 -71.07 -33.24 70.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.92 111.589 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2127 ' ' ALA . . . . . 0.442 ' HB1' ' OG1' ' A' 2124 ' ' THR . . . -67.35 -39.85 85.8 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.165 -0.214 . . . . 1.1 111.368 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2128 ' ' LEU . . . . . 0.439 HD12 ' CG2' ' A' 2067 ' ' VAL . 23.0 mt -62.13 -39.65 93.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.724 -0.472 . . . . 1.32 109.724 172.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.61 ' HB ' ' O ' ' A' 2126 ' ' HIS . 92.8 m -52.23 -53.82 38.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.569 -0.741 . . . . 1.1 110.759 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -40.68 88.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.738 -0.665 . . . . 2.45 110.687 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 58.4 t60 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.927 0.394 . . . . 0.71 110.877 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.445 ' HA ' ' HG2' ' A' 2135 ' ' ARG . 3.5 mm? -70.15 -21.39 63.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.224 -0.444 . . . . 1.27 110.957 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -73.58 -35.27 65.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.683 -0.488 . . . . 0.79 109.683 174.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 46.3 m -68.07 -29.71 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 1.38 110.353 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.445 ' HG2' ' HA ' ' A' 2132 ' ' LEU . 28.3 mmm180 . . . . . 0 C--N 1.332 -0.182 0 CA-C-O 121.47 0.653 . . . . 3.81 110.79 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.582 ' O ' HD11 ' A' 2063 ' ' LEU . 52.1 mt-30 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.483 0.182 . . . . 2.83 111.428 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -54.61 -42.94 71.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.236 0.828 . . . . 1.39 113.236 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -61.3 -42.22 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.305 -0.558 . . . . 2.4 110.598 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 53.5 m -58.5 -59.39 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.978 -0.555 . . . . 1.48 110.701 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.764 ' O ' HG21 ' A' 2067 ' ' VAL . 6.9 mp -55.0 -49.7 70.84 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.562 -0.745 . . . . 1.61 111.989 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.65 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.086 0.47 . . . . 1.1 111.711 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.6 m -90.73 -33.83 15.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.635 -0.711 . . . . 1.14 109.628 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.32 -58.43 8.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.599 -0.728 . . . . 1.1 110.027 174.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.764 HG21 ' O ' ' A' 2063 ' ' LEU . 23.7 t -45.22 -53.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 122.201 1.0 . . . . 1.38 110.896 174.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2068 ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' 2072 ' ' ALA . . . -58.26 -45.93 86.91 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.531 -1.668 . . . . 1.06 111.733 -177.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.455 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -69.81 -32.69 71.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.779 0.323 . . . . 1.0 110.907 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.631 ' O ' HG11 ' A' 2074 ' ' VAL . . . -62.18 -56.17 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 1.07 110.642 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' 2102 ' ' LEU . 5.7 t -64.76 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.687 . . . . 1.04 110.312 -178.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' 2068 ' ' ALA . . . -73.45 -19.62 60.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.064 -0.971 . . . . 1.17 111.154 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.1 m -87.24 -39.39 15.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 1.31 111.255 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.631 HG11 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -70.2 -39.44 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 1.48 109.414 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.018 -0.992 . . . . 1.58 110.51 174.37 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.457 HG23 ' HB3' ' A' 2081 ' ' GLU . 19.1 m . . . . . 0 N--CA 1.444 -0.775 0 N-CA-C 108.136 -1.061 . . . . 1.9 108.136 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.455 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 34.1 Cg_exo -61.97 -18.31 60.65 Favored 'Trans proline' 0 N--CA 1.471 0.189 0 C-N-CA 123.209 2.606 . . . . 0.74 112.232 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2081 ' ' GLU . . . . . 0.457 ' HB3' HG23 ' A' 2079 ' ' THR . 34.8 tt0 -61.56 -36.97 82.13 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.131 -0.941 . . . . 2.96 111.123 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 23.3 t -95.46 13.73 24.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 2.08 111.06 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.442 ' CG1' ' HA ' ' A' 2080 ' ' PRO . 5.3 mm -86.91 105.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.704 -0.48 . . . . 1.24 109.704 174.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' 2125 ' ' PRO . 20.0 m -77.0 125.91 86.23 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 1.07 110.563 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.504 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.3 Cg_endo -66.87 -30.85 39.72 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 123.683 2.922 . . . . 0.43 113.797 -174.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.35 -9.07 58.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.024 0.379 . . . . 1.21 112.024 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.8 m -84.63 152.74 23.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.408 0.623 . . . . 1.06 111.064 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.424 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.18 139.26 30.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.326 -0.852 . . . . 1.11 109.777 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.401 ' HB3' HG13 ' A' 2094 ' ' ILE . 20.8 m-85 -53.72 -27.57 28.98 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.535 0.522 . . . . 0.74 111.612 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.12 -59.89 3.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.51 0.671 . . . . 3.31 110.468 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.84 -37.83 83.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.49 -1.232 . . . . 1.88 111.942 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' 2088 ' ' ALA . 1.1 mm? -66.9 -22.48 65.96 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.905 -0.318 . . . . 1.33 111.279 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.69 0.59 8.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.168 -1.015 . . . . 0.29 113.14 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' 2089 ' ' PHE . 31.1 mm -67.58 121.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.196 0.522 . . . . 1.09 112.099 -178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -105.08 -164.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.578 -0.737 . . . . 1.07 109.085 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -17.25 60.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.435 0.636 . . . . 0.91 110.271 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.8 mt -82.56 -47.55 12.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.166 -0.925 . . . . 2.18 110.251 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.6 p -85.09 -14.23 47.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.381 -0.827 . . . . 1.08 111.887 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.12 83.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.15 0.5 . . . . 1.04 110.347 174.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 2097 ' ' LEU . 2.9 pp -77.65 -43.0 32.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.62 -0.432 . . . . 1.14 110.473 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.5 ' N ' HD12 ' A' 2100 ' ' LEU . 7.4 mm-40 -56.88 -43.51 81.32 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 111.943 0.349 . . . . 0.72 111.943 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.451 ' HA ' HG13 ' A' 2074 ' ' VAL . 1.1 tt -56.22 -56.04 25.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 1.34 111.004 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.702 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.8 ptt-85 -68.42 -26.55 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.749 -0.38 . . . . 3.14 110.406 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.41 HD21 ' HA ' ' A' 2101 ' ' GLU . 91.5 m-20 -58.34 -47.28 84.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.344 0.593 . . . . 0.48 109.46 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2105 ' ' THR . . . . . 0.539 HG21 ' OD1' ' A' 2109 ' ' ASN . 17.1 m -63.04 -52.11 64.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.137 -0.938 . . . . 1.27 109.772 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -36.93 69.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.983 -0.553 . . . . 1.73 111.389 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 92.6 m -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.376 0.608 . . . . 1.34 110.351 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -78.89 -26.73 43.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.643 -0.708 . . . . 3.58 111.454 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.539 ' OD1' HG21 ' A' 2105 ' ' THR . 13.2 m120 -68.85 -32.59 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.069 0.462 . . . . 3.21 110.735 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 30.7 p -95.65 -40.95 9.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.879 -0.6 . . . . 1.52 111.311 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.97 49.27 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.827 -0.702 . . . . 1.05 112.273 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.4 pp -100.27 -173.29 2.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 1.99 110.913 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.05 140.02 47.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.672 -0.694 . . . . 1.18 110.459 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.484 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 3.8 pp -142.23 166.8 19.05 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 3.41 110.813 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.485 ' HD2' HD23 ' A' 2118 ' ' LEU . 29.2 Cg_endo -91.71 160.61 3.47 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.788 2.992 . . . . 1.36 113.466 -168.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.702 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 33.1 Cg_endo -65.13 -9.96 23.82 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.253 2.636 . . . . 0.94 112.926 177.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.7 p -101.63 2.78 39.19 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.368 -0.378 . . . . 1.42 110.966 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' 2115 ' ' PRO . 1.5 tm? -37.51 -66.15 0.26 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.288 -0.869 . . . . 1.38 112.284 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.74 -22.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.175 0.512 . . . . 1.12 110.671 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.67 -39.91 64.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.889 -0.596 . . . . 4.38 111.042 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.55 -38.77 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 2.0 111.467 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -124.05 58.72 16.09 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 119.109 -0.472 . . . . 0.87 111.385 -173.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.505 ' C ' ' HG1' ' A' 2124 ' ' THR . 67.8 Cg_endo -80.92 104.55 1.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-N 120.971 1.383 . . . . 0.48 111.546 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.505 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.62 143.05 0.49 Allowed Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.674 -1.148 . . . . 1.12 108.042 170.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' 2085 ' ' PRO . 36.0 Cg_exo -60.37 -46.89 16.02 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 121.675 1.584 . . . . 0.29 111.81 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.539 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.1 t60 -75.47 -30.49 59.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.92 112.057 -178.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -73.43 -38.6 65.47 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.131 -0.355 . . . . 1.1 111.262 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.01 -28.54 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.96 -0.385 . . . . 1.32 109.96 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' 2126 ' ' HIS . 38.2 m -57.36 -36.54 71.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.823 -0.626 . . . . 1.1 110.387 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.35 -45.91 24.57 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.346 -0.843 . . . . 2.45 110.198 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 61.3 t60 -62.31 -52.97 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.71 110.562 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2132 ' ' LEU . . . . . 0.488 HD12 ' HG3' ' A' 2135 ' ' ARG . 3.6 mm? -68.74 -23.01 64.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 1.27 111.063 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2133 ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' 2129 ' ' THR . 43.8 t-80 -64.71 -37.29 87.1 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.343 -0.614 . . . . 0.79 109.343 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.2 m -66.91 -41.2 87.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.781 -0.645 . . . . 1.38 109.547 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.488 ' HG3' HD12 ' A' 2132 ' ' LEU . 21.7 mmm180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.611 -0.722 . . . . 3.81 110.918 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.591 ' O ' HD12 ' A' 2063 ' ' LEU . 11.1 mt-30 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.456 -0.202 . . . . 2.83 110.456 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -55.65 -35.75 66.27 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 112.541 0.571 . . . . 1.39 112.541 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -63.13 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.275 -0.57 . . . . 2.4 110.311 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 98.3 m -61.44 -57.67 11.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.566 . . . . 1.48 110.723 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' 2059 ' ' GLN . 5.9 mp -59.66 -38.84 82.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.391 -0.822 . . . . 1.61 111.997 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.45 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 1.1 110.514 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 49.8 m -81.33 -34.83 31.59 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.5 -0.556 . . . . 1.14 109.5 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.05 -63.9 1.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.776 -0.647 . . . . 1.1 110.719 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' 2063 ' ' LEU . 7.7 p -53.62 -41.37 46.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 123.474 0.484 . . . . 1.38 111.362 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.64 -57.55 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 1.06 111.004 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.415 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.01 -28.49 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 1.0 110.939 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.581 ' O ' HG12 ' A' 2074 ' ' VAL . . . -63.02 -57.38 10.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.029 -0.532 . . . . 1.07 110.128 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.491 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.8 t -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.279 0.562 . . . . 1.04 110.426 -177.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -66.29 -25.36 66.82 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.362 -0.835 . . . . 1.17 110.409 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 24.0 m -86.71 -35.84 19.02 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.89 -0.324 . . . . 1.31 110.864 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.78 -40.83 70.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 1.48 109.897 -179.182 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 1.58 110.95 176.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 2079 ' ' THR . . . . . 0.415 HG23 ' HB3' ' A' 2081 ' ' GLU . 4.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.887 -0.783 . . . . 1.9 108.887 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.415 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 23.0 Cg_exo -64.71 -19.48 64.58 Favored 'Trans proline' 0 N--CA 1.467 -0.064 0 C-N-CA 122.693 2.262 . . . . 0.74 111.655 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2081 ' ' GLU . . . . . 0.415 ' HB3' HG23 ' A' 2079 ' ' THR . 31.6 tt0 -64.98 -37.86 89.07 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.971 -1.013 . . . . 2.96 111.407 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.6 t -93.5 10.57 31.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.236 0.541 . . . . 2.08 110.55 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.491 HD13 ' CG2' ' A' 2071 ' ' THR . 21.9 mt -91.23 103.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.411 . . . . 1.24 110.032 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.548 ' HB2' ' OG1' ' A' 2087 ' ' THR . 53.9 m -75.49 130.67 79.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.189 -0.459 . . . . 1.07 110.581 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.489 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 60.1 Cg_endo -67.38 -27.62 40.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.321 2.68 . . . . 0.43 113.172 -175.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.93 -8.32 58.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.21 -0.45 . . . . 1.21 112.196 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.8 m -84.17 151.62 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.322 0.582 . . . . 1.06 110.906 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -87.04 137.59 32.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.284 -0.871 . . . . 1.11 109.497 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2089 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -53.39 -30.5 40.31 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.94 -0.573 . . . . 0.74 111.994 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -49.76 64.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 123.527 0.517 . . . . 3.31 109.911 174.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.89 -34.45 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 1.88 111.407 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.29 -23.38 63.82 Favored 'General case' 0 C--O 1.23 0.053 0 C-N-CA 120.827 -0.349 . . . . 1.33 111.251 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.99 5.7 6.18 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.021 -1.085 . . . . 0.29 112.918 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.457 HD12 ' OG1' ' A' 2071 ' ' THR . 33.8 mm -74.23 129.12 36.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.016 0.436 . . . . 1.09 111.663 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -112.73 -163.85 0.88 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.925 -1.139 . . . . 1.07 107.925 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 5.4 p -71.98 -39.87 68.99 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.125 -0.63 . . . . 0.91 110.7 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.776 ' O ' ' HG ' ' A' 2100 ' ' LEU . 2.1 tt -62.12 -53.46 55.06 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.422 -0.808 . . . . 2.18 111.61 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2098 ' ' THR . . . . . 0.512 ' N ' HD21 ' A' 2097 ' ' LEU . 0.6 OUTLIER -67.96 -16.45 64.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.8 0.333 . . . . 1.08 111.774 179.021 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.78 72.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.319 -0.4 . . . . 1.04 110.7 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.5 pp -80.25 -33.49 37.87 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.363 -0.535 . . . . 1.14 109.741 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' 2104 ' ' ASN . 9.2 mm-40 -58.71 -40.78 84.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.077 0.465 . . . . 0.72 110.664 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.427 HD22 HD13 ' A' 2106 ' ' LEU . 0.6 OUTLIER -63.59 -52.51 60.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.745 -0.662 . . . . 1.34 110.499 177.057 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.601 ' NH1' ' HA ' ' A' 2116 ' ' PRO . 40.0 mtm105 -58.44 -33.5 69.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.005 -0.543 . . . . 3.14 111.164 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' 2101 ' ' GLU . 73.4 m-20 -53.73 -42.29 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.48 111.0 175.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.61 -47.28 14.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.229 -0.441 . . . . 1.27 111.162 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.427 HD13 HD22 ' A' 2102 ' ' LEU . 85.0 mt -54.92 -48.45 73.08 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.873 0.368 . . . . 1.73 111.281 -177.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2107 ' ' THR . . . . . 0.471 ' HA ' HD22 ' A' 2114 ' ' LEU . 26.2 m -61.84 -49.69 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.647 . . . . 1.34 110.913 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 81.0 t60 -68.43 -32.63 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.767 -0.651 . . . . 3.58 111.574 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -71.51 -27.91 63.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 3.21 111.184 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 5.9 p -100.45 -35.28 9.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.295 -0.411 . . . . 1.52 111.943 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 92.36 11.68 59.39 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.146 -0.782 . . . . 1.05 111.146 -176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2112 ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' 2135 ' ' ARG . 57.4 mt -94.97 -168.57 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.973 -0.613 . . . . 1.99 111.313 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -120.51 119.81 34.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.859 -1.064 . . . . 1.18 109.715 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' 2107 ' ' THR . 4.2 mm? -112.48 133.35 21.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.315 -0.402 . . . . 3.41 110.91 -174.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -72.03 145.11 44.06 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.334 . . . . 1.36 111.802 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.601 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 38.1 Cg_endo -66.31 -13.25 39.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.822 2.348 . . . . 0.94 111.943 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.3 p -95.28 4.99 52.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.551 -0.75 . . . . 1.42 111.282 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.433 ' HB3' ' HD3' ' A' 2103 ' ' ARG . 20.8 tp -44.27 -59.04 2.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.326 0.584 . . . . 1.38 111.956 175.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 15.7 mm -79.08 -0.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 1.12 110.059 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2120 ' ' PHE . . . . . 0.4 ' HD1' ' O ' ' A' 2120 ' ' PHE . 0.5 OUTLIER -91.23 -42.43 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.752 -0.832 . . . . 4.38 108.752 175.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -86.06 -51.23 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.432 -0.804 . . . . 2.0 111.263 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -125.69 64.69 50.63 Favored Pre-proline 0 C--N 1.331 -0.204 0 C-N-CA 120.808 -0.357 . . . . 0.87 111.364 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -80.2 104.46 1.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 CA-C-N 120.568 1.239 . . . . 0.48 110.259 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.53 143.96 0.53 Allowed Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 114.582 -1.19 . . . . 1.12 108.923 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.5 Cg_exo -57.55 -59.47 0.57 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 121.806 1.671 . . . . 0.29 112.166 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.599 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.3 t60 -70.92 -35.23 72.18 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.974 0.361 . . . . 0.92 111.974 -174.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2127 ' ' ALA . . . . . 0.42 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.925 -0.31 . . . . 1.1 111.389 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.22 -36.75 82.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.982 0.42 . . . . 1.32 109.936 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.599 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -53.7 -42.98 68.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.543 -0.753 . . . . 1.1 110.341 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2130 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 2126 ' ' HIS . 60.9 mt-30 -61.35 -44.78 96.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.516 -0.766 . . . . 2.45 110.477 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.91 -56.54 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 0.71 110.819 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.61 -24.6 64.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.882 -0.599 . . . . 1.27 110.971 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -65.7 -34.42 78.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.021 -0.363 . . . . 0.79 110.021 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 4.6 m -72.51 -42.01 65.27 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.005 -0.543 . . . . 1.38 109.774 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.418 ' HB3' HD12 ' A' 2112 ' ' LEU . 36.3 mmt180 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 112.52 0.563 . . . . 3.81 112.52 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2059 ' ' GLN . . . . . 0.569 ' O ' HD11 ' A' 2063 ' ' LEU . 56.6 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.16 0.029 . . . . 2.83 111.033 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.35 -36.86 69.25 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.935 0.346 . . . . 1.39 111.935 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -62.32 -51.96 65.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.517 0.675 . . . . 2.4 109.684 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 58.7 m -53.6 -58.21 8.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.576 -1.193 . . . . 1.48 111.121 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2063 ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' 2059 ' ' GLN . 8.3 mp -57.38 -38.82 74.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.793 0.664 . . . . 1.61 112.793 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 1.1 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 22.0 m -90.63 -33.31 15.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 1.14 109.492 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2066 ' ' LEU . . . . . 0.51 HD22 ' ND2' ' A' 2109 ' ' ASN . 17.1 tp -54.32 -60.94 2.66 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.366 -0.833 . . . . 1.1 110.995 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2067 ' ' VAL . . . . . 0.495 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.5 p -54.41 -41.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.595 -0.73 . . . . 1.38 111.55 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.86 -51.9 62.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.862 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2069 ' ' ALA . . . . . 0.52 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.99 -31.91 72.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.897 0.379 . . . . 1.0 110.603 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2070 ' ' ALA . . . . . 0.682 ' O ' HG11 ' A' 2074 ' ' VAL . . . -63.21 -59.88 4.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.815 -0.629 . . . . 1.07 109.86 175.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2071 ' ' THR . . . . . 0.455 ' HB ' HD13 ' A' 2102 ' ' LEU . 7.3 t -66.41 -31.77 72.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.02 0.438 . . . . 1.04 111.004 -173.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2072 ' ' ALA . . . . . 0.431 ' HB3' HD12 ' A' 2083 ' ' ILE . . . -74.17 -19.01 60.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.014 -0.539 . . . . 1.17 111.15 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 66.3 m -89.88 -39.54 12.98 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.548 0.203 . . . . 1.31 111.548 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2074 ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -64.77 -36.64 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 109.069 -0.715 . . . . 1.48 109.069 179.115 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.197 -0.911 . . . . 1.58 111.583 177.233 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.074 -0.343 . . . . 1.9 110.074 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 2080 ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' A' 2069 ' ' ALA . 50.1 Cg_exo -56.99 -34.79 98.29 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.09 2.527 . . . . 0.74 112.318 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.42 -20.94 64.99 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.488 -0.778 . . . . 2.96 111.208 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 10.7 t -110.32 19.35 18.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 2.08 111.033 -176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2083 ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' 2072 ' ' ALA . 9.3 mt -87.45 117.65 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 O-C-N 122.053 -0.404 . . . . 1.24 110.48 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2084 ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' 2125 ' ' PRO . 33.2 m -69.11 134.11 89.59 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.745 . . . . 1.07 111.002 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2085 ' ' PRO . . . . . 0.489 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 57.1 Cg_endo -67.92 -30.48 32.91 Favored 'Trans proline' 0 N--CA 1.471 0.172 0 C-N-CA 123.737 2.958 . . . . 0.43 113.938 -172.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -96.93 13.97 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.957 0.725 . . . . 1.21 112.957 -173.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2087 ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.2 m -90.93 152.51 20.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.174 0.511 . . . . 1.06 111.168 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2088 ' ' ALA . . . . . 0.457 ' O ' HD23 ' A' 2092 ' ' LEU . . . -83.99 139.21 32.69 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.684 -0.689 . . . . 1.11 109.408 176.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2089 ' ' PHE . . . . . 0.456 ' HB3' HG13 ' A' 2094 ' ' ILE . 13.6 m-85 -60.89 -25.54 66.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 0.74 112.18 -176.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -18.22 61.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 120.968 0.414 . . . . 3.31 110.879 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.96 -29.45 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.329 -0.619 . . . . 1.88 109.329 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2092 ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' 2088 ' ' ALA . 0.6 OUTLIER -80.86 -23.24 39.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.194 -0.457 . . . . 1.33 110.818 178.074 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.57 11.22 5.61 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.364 -0.922 . . . . 0.29 113.463 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2094 ' ' ILE . . . . . 0.456 HG13 ' HB3' ' A' 2089 ' ' PHE . 26.0 mm -70.33 125.19 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.986 0.422 . . . . 1.09 112.089 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2095 ' ' ASP . . . . . 0.402 ' O ' ' HB1' ' A' 2099 ' ' ALA . 22.9 m-20 -98.37 -168.58 1.67 Allowed 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.601 -0.727 . . . . 1.07 109.061 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -24.08 44.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 118.924 -1.11 . . . . 0.91 109.608 174.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.7 mt -75.58 -52.79 9.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.158 -0.928 . . . . 2.18 110.027 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.52 -12.01 60.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.301 -0.863 . . . . 1.08 111.825 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2099 ' ' ALA . . . . . 0.528 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.12 -47.65 85.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 1.04 110.122 173.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2100 ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -70.81 -35.82 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.418 -0.355 . . . . 1.14 110.781 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2101 ' ' GLU . . . . . 0.566 ' N ' HD13 ' A' 2100 ' ' LEU . 6.7 mm-40 -58.74 -44.04 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.795 0.331 . . . . 0.72 111.396 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2102 ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.7 tt -56.61 -54.46 45.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.03 -0.532 . . . . 1.34 110.065 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2103 ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 60.2 ttp85 -55.41 -40.13 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 3.14 111.182 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2104 ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' 2101 ' ' GLU . 84.0 m-20 -51.22 -51.88 49.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.48 110.601 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.8 m -62.16 -45.4 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 1.27 110.821 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2106 ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' 2102 ' ' LEU . 73.0 mt -59.77 -44.51 93.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 1.73 111.326 -178.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 24.3 m -65.54 -41.93 92.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.929 -0.578 . . . . 1.34 110.867 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.38 -27.07 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.973 -0.558 . . . . 3.58 110.954 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2109 ' ' ASN . . . . . 0.51 ' ND2' HD22 ' A' 2066 ' ' LEU . 7.7 t30 -77.08 -48.13 18.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.158 0.504 . . . . 3.21 110.973 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 17.7 p -70.62 -41.03 72.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 1.52 111.438 -174.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.48 -31.07 8.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 1.05 112.731 175.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.4 pp -84.44 -177.65 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.963 0.411 . . . . 1.99 110.717 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.96 133.5 55.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.134 -0.484 . . . . 1.18 110.026 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2114 ' ' LEU . . . . . 0.627 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -135.06 177.17 2.36 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.772 -0.649 . . . . 3.41 109.424 -178.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2115 ' ' PRO . . . . . 0.627 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.6 Cg_endo -81.33 151.62 17.79 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.014 1.809 . . . . 1.36 112.83 -168.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2116 ' ' PRO . . . . . 0.443 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 35.1 Cg_endo -64.38 -16.66 56.3 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.108 2.539 . . . . 0.94 111.973 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 20.6 p -89.89 4.09 51.02 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.865 -0.607 . . . . 1.42 110.967 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2118 ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' 2115 ' ' PRO . 2.0 tm? -32.81 -62.09 0.26 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.68 0.792 . . . . 1.38 112.958 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2119 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 2099 ' ' ALA . 41.1 mm -75.04 -25.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.336 0.589 . . . . 1.12 110.838 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -73.7 -32.1 63.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.568 -0.742 . . . . 4.38 110.279 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.7 -51.65 8.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 2.0 111.124 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -126.66 72.58 74.3 Favored Pre-proline 0 N--CA 1.465 0.276 0 CA-C-O 119.359 -0.353 . . . . 0.87 111.61 -171.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2123 ' ' PRO . . . . . 0.438 ' C ' ' HG1' ' A' 2124 ' ' THR . 60.5 Cg_endo -81.71 104.24 1.43 Allowed 'Trans proline' 0 N--CA 1.446 -1.293 0 CA-C-N 120.479 1.207 . . . . 0.48 111.581 177.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2124 ' ' THR . . . . . 0.438 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -178.55 140.68 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 124.573 1.149 . . . . 1.12 108.235 168.436 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2125 ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 51.9 Cg_exo -55.57 -58.15 1.25 Allowed 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 121.914 1.743 . . . . 0.29 112.216 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2126 ' ' HIS . . . . . 0.543 ' O ' ' HB ' ' A' 2129 ' ' THR . 71.6 t60 -69.17 -31.48 70.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.92 111.946 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.55 87.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.84 0.352 . . . . 1.1 110.636 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.26 -36.89 85.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.992 -0.549 . . . . 1.32 110.512 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2129 ' ' THR . . . . . 0.543 ' HB ' ' O ' ' A' 2126 ' ' HIS . 90.9 m -52.07 -52.61 50.06 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.172 -0.467 . . . . 1.1 110.009 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -63.73 -44.89 92.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.361 -0.836 . . . . 2.45 111.955 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2131 ' ' HIS . . . . . 0.661 ' O ' ' HG2' ' A' 2135 ' ' ARG . 74.8 t60 -58.17 -59.49 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.932 -0.307 . . . . 0.71 110.227 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.03 -31.64 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 1.27 110.957 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -60.87 -45.9 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.867 -0.42 . . . . 0.79 109.867 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 11.0 m -66.07 -33.96 76.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.76 -0.655 . . . . 1.38 110.274 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2135 ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' 2131 ' ' HIS . 3.7 mmp_? . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.399 0.619 . . . . 3.81 110.556 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.983 -0.447 . . . . 6.87 111.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' 2049 ' ' MET . 67.9 p 52.62 91.53 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.846 0.858 . . . . 4.62 112.039 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 22.54 0.09 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.084 -0.962 . . . . 7.56 110.914 176.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.51 ' H ' ' C ' ' A' 2047 ' ' SER . 1.4 mpt? -82.02 18.57 1.31 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.546 -0.752 . . . . 3.75 112.215 -171.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -73.35 -10.7 60.02 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.63 0.729 . . . . 10.18 109.564 177.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 7.5 mp -83.24 22.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.294 -0.867 . . . . 6.93 110.087 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.0 p30 -58.65 153.09 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.585 -0.734 . . . . 5.24 111.246 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 112.39 10.52 17.24 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.112 -0.795 . . . . 3.97 111.112 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 97.7 mt -84.5 149.7 25.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.491 -0.354 . . . . 3.72 110.199 175.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 12.2 p -71.41 157.32 90.24 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 108.882 -0.784 . . . . 2.3 108.882 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.618 ' O ' ' HG3' ' A' 2060 ' ' GLN . 80.0 Cg_exo -43.34 -54.17 3.72 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.99 2.46 . . . . 1.99 113.18 -175.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -68.06 -28.98 67.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.58 0.585 . . . . 2.69 112.58 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -67.56 -33.48 75.12 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.238 0.542 . . . . 2.63 110.298 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.741 ' O ' ' HG ' ' A' 2063 ' ' LEU . 52.4 mt-30 -76.68 -45.47 29.53 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.024 -0.535 . . . . 2.83 109.738 173.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' 2056 ' ' PRO . 91.5 mt-30 -54.32 -44.5 72.09 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 112.406 0.521 . . . . 1.39 112.406 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.59 -40.26 86.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 2.4 110.567 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.457 ' HB ' ' O ' ' A' 2059 ' ' GLN . 84.9 m -57.93 -43.85 86.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 1.48 110.756 173.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' A' 2059 ' ' GLN . 17.6 mt -78.43 -36.89 44.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.376 -0.829 . . . . 1.61 111.292 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.21 -24.37 67.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.169 0.509 . . . . 1.1 110.419 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -82.42 -38.39 24.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.18 -0.674 . . . . 1.14 109.18 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.97 -63.94 1.12 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.261 -0.881 . . . . 1.1 111.385 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.35 -38.9 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 1.38 111.596 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.05 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.549 -0.296 . . . . 1.06 110.905 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.446 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.97 -32.72 74.12 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.1 0.476 . . . . 1.0 109.96 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.539 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.97 -56.83 13.68 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.339 -0.846 . . . . 1.07 110.353 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.476 ' HA ' ' HG ' ' A' 2102 ' ' LEU . 14.0 t -68.08 -36.36 79.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.014 0.435 . . . . 1.04 111.417 -174.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' 2077 ' ' HIS . . . -68.25 -22.84 64.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.1 -0.5 . . . . 1.17 110.565 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 54.4 m -81.01 -42.16 21.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 1.31 111.499 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -62.48 -36.73 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.353 0.596 . . . . 1.48 109.816 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 42.2 mt -90.62 -11.15 40.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.528 -0.76 . . . . 1.58 111.978 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 61.5 47.54 90.04 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.801 -0.636 . . . . 1.92 113.11 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' 2072 ' ' ALA . 0.0 OUTLIER -154.44 162.43 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.871 0.335 . . . . 2.09 111.212 -174.422 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 26.5 t60 69.21 135.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.351 1.241 . . . . 6.84 114.351 160.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 22.8 m -65.56 119.91 63.98 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.286 -0.87 . . . . 1.9 109.731 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' A' 2069 ' ' ALA . 52.8 Cg_exo -57.78 -29.56 86.28 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.031 2.487 . . . . 0.74 112.566 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.02 -21.9 66.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 2.96 110.646 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.7 t -100.57 6.9 44.28 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.539 -0.755 . . . . 2.08 111.122 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.429 HD12 ' HB1' ' A' 2072 ' ' ALA . 11.5 mt -83.58 111.03 19.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.899 0.38 . . . . 1.24 110.189 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.427 ' HB2' ' OG1' ' A' 2087 ' ' THR . 25.3 m -74.31 126.5 88.92 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.822 -0.626 . . . . 1.07 111.427 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 18.4 Cg_endo -59.59 -38.79 79.99 Favored 'Trans proline' 0 CA--C 1.516 -0.394 0 C-N-CA 123.954 3.103 . . . . 0.43 113.671 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -71.96 -5.79 37.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.671 -0.695 . . . . 1.21 112.147 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.468 ' O ' HG23 ' A' 2124 ' ' THR . 3.7 m -90.28 153.1 20.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.214 0.531 . . . . 1.06 110.861 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.427 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.25 142.82 27.06 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.477 -0.783 . . . . 1.11 110.083 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.464 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.2 m-85 -54.36 -29.72 49.26 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.323 0.389 . . . . 0.74 110.915 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -42.8 -63.61 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.22 -0.9 . . . . 3.31 110.605 168.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.97 -37.61 83.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.931 -1.486 . . . . 1.88 112.103 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' 2088 ' ' ALA . 0.9 OUTLIER -67.55 -21.44 65.46 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.664 0.246 . . . . 1.33 111.664 -178.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.09 10.62 8.04 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.421 -0.895 . . . . 0.29 112.767 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 33.7 mm -77.73 131.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.951 0.405 . . . . 1.09 111.685 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2095 ' ' ASP . . . . . 0.419 ' HB2' HD13 ' A' 2097 ' ' LEU . 29.2 m-20 -107.0 -162.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.012 -0.736 . . . . 1.07 109.012 172.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -34.17 51.57 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.06 -0.656 . . . . 0.91 111.371 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.61 -44.03 58.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.938 -0.573 . . . . 2.18 110.512 -177.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.89 -16.08 58.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.245 -0.434 . . . . 1.08 111.806 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.504 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.74 -48.54 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 1.04 110.417 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -70.69 -36.02 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.278 -0.419 . . . . 1.14 110.562 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' 2100 ' ' LEU . 8.4 mm-40 -62.13 -38.84 90.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.864 0.364 . . . . 0.72 111.39 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.476 ' HG ' ' HA ' ' A' 2071 ' ' THR . 1.4 tt -58.09 -53.81 54.01 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.824 -0.436 . . . . 1.34 109.824 173.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 50.3 ttp85 -53.74 -49.52 67.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.826 . . . . 3.14 109.791 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -48.95 -49.37 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.567 -0.742 . . . . 0.48 110.943 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 53.5 m -61.6 -53.15 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 1.27 111.743 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' 2102 ' ' LEU . 3.2 pp -72.67 -19.83 61.36 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.687 -0.405 . . . . 1.73 111.528 -176.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 93.5 m -73.71 -39.92 63.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 1.34 109.87 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -67.83 -24.36 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 3.58 110.673 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -91.69 -7.09 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.118 -0.492 . . . . 3.21 111.795 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 14.9 p -108.83 -29.69 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.758 0.281 . . . . 1.52 111.758 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.51 6.02 86.26 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.806 -0.712 . . . . 1.05 112.939 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 2.1 pp -109.88 -169.78 1.53 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.704 -0.292 . . . . 1.99 110.51 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -113.88 137.94 50.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.339 -0.391 . . . . 1.18 110.182 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' 2114 ' ' LEU . 3.9 tp -133.71 141.03 38.5 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.226 -0.443 . . . . 3.41 110.635 -172.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -66.94 144.09 68.91 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.191 2.594 . . . . 1.36 112.487 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.2 -5.96 12.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.956 2.437 . . . . 0.94 112.359 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.3 p -98.49 3.23 48.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.591 . . . . 1.42 110.106 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.7 OUTLIER -39.34 -64.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.387 -1.279 . . . . 1.38 112.635 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' 2099 ' ' ALA . 39.0 mm -73.89 -25.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 1.12 110.83 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.439 ' CE1' ' H3 ' ' A' 2201 ' ' 66S . 12.7 m-85 -66.22 -36.52 83.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.914 -0.585 . . . . 4.38 110.294 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.86 -44.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 2.0 112.605 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -128.42 64.19 66.79 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 120.393 -0.523 . . . . 0.87 111.925 -172.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.694 ' O ' HG22 ' A' 2124 ' ' THR . 59.5 Cg_endo -82.87 106.58 1.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 CA-C-N 119.972 1.026 . . . . 0.48 112.995 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.694 HG22 ' O ' ' A' 2123 ' ' PRO . 3.3 p -176.67 158.99 1.58 Allowed Pre-proline 0 C--O 1.236 0.342 0 N-CA-C 105.786 -1.931 . . . . 1.12 105.786 164.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.516 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.3 Cg_exo -61.75 -38.97 56.43 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 120.427 1.188 . . . . 0.29 109.825 169.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.509 ' O ' ' HB ' ' A' 2129 ' ' THR . 68.1 t60 -62.51 -55.95 22.63 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.19 -0.913 . . . . 0.92 112.484 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.06 85.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.303 . . . . 1.1 111.696 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' 2119 ' ' ILE . 24.7 mt -67.3 -35.28 79.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.788 -0.365 . . . . 1.32 110.682 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' 2126 ' ' HIS . 63.8 m -54.49 -41.0 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.252 0.549 . . . . 1.1 110.6 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -47.88 35.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.51 -0.768 . . . . 2.45 110.077 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' 2135 ' ' ARG . 79.8 t60 -59.62 -50.22 74.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.973 -0.558 . . . . 0.71 110.573 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' 2136 ' ' LEU . 3.9 mm? -68.33 -28.22 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.596 -0.274 . . . . 1.27 111.064 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -62.62 -46.41 88.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.562 -0.532 . . . . 0.79 109.562 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' 2138 ' ' GLN . 9.6 m -65.65 -36.49 83.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.669 -0.696 . . . . 1.38 110.562 176.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' 2131 ' ' HIS . 7.0 mmp_? -64.29 -27.73 69.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 3.81 111.429 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.447 ' HG ' ' HE1' ' A' 2049 ' ' MET . 1.5 mp -91.39 -36.7 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.211 -0.449 . . . . 2.85 111.948 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 40.1 p -90.52 -47.53 7.65 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.448 0.642 . . . . 1.65 111.062 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.2 OUTLIER -81.93 -26.68 33.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.062 -0.972 . . . . 3.15 111.551 -175.1 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2139 ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' 2135 ' ' ARG . 14.5 m -117.74 137.42 52.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.865 0.364 . . . . 3.76 110.977 -178.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.3 p80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.216 -0.897 . . . . 7.57 110.343 177.098 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.439 ' H3 ' ' CE1' ' A' 2120 ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.111 -0.396 . . . . 6.87 112.111 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' 2109 ' ' ASN . 77.9 p -102.0 155.74 17.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.964 0.411 . . . . 4.62 110.033 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -81.21 15.47 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.164 0.507 . . . . 7.56 110.418 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.444 ' HE3' ' CD1' ' A' 2112 ' ' LEU . 49.1 mtt -80.2 -19.6 46.64 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 115.517 -0.765 . . . . 3.75 110.418 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -81.22 -5.79 58.14 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.097 -0.956 . . . . 10.18 109.581 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 8.1 mp -104.58 22.48 14.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.986 -1.006 . . . . 6.93 109.465 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.42 150.63 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.193 -0.912 . . . . 5.24 110.873 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.49 3.75 27.11 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.667 -0.573 . . . . 3.97 111.667 -175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.87 153.16 23.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.099 0.476 . . . . 3.72 110.984 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.3 m -77.71 154.08 80.95 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.101 -0.703 . . . . 2.3 109.101 174.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.424 ' O ' ' HG3' ' A' 2060 ' ' GLN . 92.5 Cg_exo -42.89 -55.85 2.52 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.21 2.607 . . . . 1.99 113.544 -176.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.89 -29.78 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.324 0.491 . . . . 2.69 112.324 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -66.64 -39.84 88.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 2.63 110.546 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.555 ' O ' HD13 ' A' 2063 ' ' LEU . 26.9 mt-30 -77.97 -48.67 15.71 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.969 -0.559 . . . . 2.83 110.746 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' 2056 ' ' PRO . 99.1 mt-30 -48.26 -44.56 33.56 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 112.845 0.683 . . . . 1.39 112.845 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.28 -43.93 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 2.4 110.957 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 64.3 m -60.5 -56.59 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 1.48 110.791 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' 2059 ' ' GLN . 6.1 mp -61.22 -37.23 82.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.602 -0.726 . . . . 1.61 112.084 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.19 -26.59 67.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 1.1 110.801 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 27.9 m -83.2 -38.04 22.82 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.18 -0.674 . . . . 1.14 109.18 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.44 HD21 ' ND2' ' A' 2109 ' ' ASN . 20.8 tp -55.31 -61.16 2.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.435 -0.802 . . . . 1.1 110.843 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' 2063 ' ' LEU . 6.2 p -56.48 -42.97 76.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.38 -0.827 . . . . 1.38 111.735 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.52 80.44 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.487 -0.19 . . . . 1.06 110.487 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.496 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.71 -40.01 90.71 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.812 0.339 . . . . 1.0 110.221 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.699 ' O ' HG11 ' A' 2074 ' ' VAL . . . -60.56 -56.81 16.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.724 -0.671 . . . . 1.07 110.845 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.473 ' CB ' HD13 ' A' 2102 ' ' LEU . 4.6 t -68.17 -25.32 65.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.215 0.531 . . . . 1.04 110.781 -175.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' 2078 ' ' HIS . . . -76.07 -34.07 59.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.675 . . . . 1.17 111.236 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 92.4 m -78.91 -42.07 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.086 0.402 . . . . 1.31 112.086 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' 2070 ' ' ALA . 1.8 m -60.66 -34.72 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.697 0.76 . . . . 1.48 109.572 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 61.9 mt -87.64 -36.2 17.6 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.825 -1.079 . . . . 1.58 111.109 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 60.86 80.45 0.1 OUTLIER Glycine 0 CA--C 1.512 -0.134 0 N-CA-C 111.533 -0.627 . . . . 1.92 111.533 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.35 -8.04 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.603 0.964 . . . . 2.09 113.603 -168.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.492 ' O ' ' HB1' ' A' 2072 ' ' ALA . 18.9 t60 -156.3 143.19 18.81 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.706 -0.797 . . . . 6.84 112.003 -167.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 24.0 m -73.93 131.52 81.37 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.214 -0.661 . . . . 1.9 109.214 174.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.496 ' HB3' ' N ' ' A' 2069 ' ' ALA . 12.8 Cg_exo -67.44 -28.79 38.54 Favored 'Trans proline' 0 CA--C 1.513 -0.527 0 C-N-CA 122.773 2.315 . . . . 0.74 110.785 -173.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.12 -29.11 70.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.231 -1.35 . . . . 2.96 110.245 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 38.7 t -101.95 12.32 37.12 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.055 -0.975 . . . . 2.08 111.125 -172.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2083 ' ' ILE . . . . . . . . . . . . . 5.8 mt -84.11 128.27 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 1.24 111.046 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' 2125 ' ' PRO . 15.2 m -83.97 125.0 73.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.622 -0.717 . . . . 1.07 111.024 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.497 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 40.3 Cg_endo -63.49 -32.71 70.41 Favored 'Trans proline' 0 N--CA 1.473 0.306 0 C-N-CA 123.712 2.941 . . . . 0.43 113.929 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.66 -11.45 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.344 0.498 . . . . 1.21 112.344 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.6 m -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.485 0.66 . . . . 1.06 111.062 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.418 ' O ' HD23 ' A' 2092 ' ' LEU . . . -89.08 138.93 30.97 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.13 -0.941 . . . . 1.11 110.045 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.5 ' HB3' HG13 ' A' 2094 ' ' ILE . 7.6 m-30 -53.15 -30.37 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.469 -0.787 . . . . 0.74 112.523 -177.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -58.62 -40.19 82.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 3.31 110.81 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.49 -30.32 65.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.39 -0.823 . . . . 1.88 110.522 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' 2088 ' ' ALA . 1.4 mm? -78.06 -21.75 50.15 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.501 -0.318 . . . . 1.33 110.915 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.96 2.51 6.09 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.229 -0.986 . . . . 0.29 113.932 173.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -65.39 128.17 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.26 0.53 . . . . 1.09 112.063 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -107.68 -174.11 2.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.672 -0.862 . . . . 1.07 108.672 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.484 ' HB3' ' H2 ' ' A' 2201 ' ' 66S . 0.0 OUTLIER -70.42 -27.73 64.5 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.645 -0.822 . . . . 0.91 109.924 176.275 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.746 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.1 mt -64.53 -58.99 4.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.96 . . . . 2.18 110.709 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.92 60.75 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.771 -0.649 . . . . 1.08 112.199 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -61.87 -34.61 76.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.189 -0.459 . . . . 1.04 111.117 174.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -76.65 -42.28 42.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.306 -0.557 . . . . 1.14 110.635 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.498 ' N ' HD11 ' A' 2100 ' ' LEU . 5.9 mm-40 -60.38 -39.66 88.08 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.72 111.398 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' 2071 ' ' THR . 0.9 OUTLIER -62.29 -52.56 63.23 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.908 -0.587 . . . . 1.34 110.859 -179.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.655 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 14.8 ptt-85 -68.14 -24.09 64.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.758 -0.377 . . . . 3.14 110.267 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' 2101 ' ' GLU . 79.3 m-20 -58.05 -46.82 84.76 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.018 0.437 . . . . 0.48 109.914 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.6 m -72.81 -42.26 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.911 -0.586 . . . . 1.27 111.165 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' 2067 ' ' VAL . 93.9 mt -61.64 -55.8 26.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.944 0.402 . . . . 1.73 111.605 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 6.7 m -66.93 -27.48 67.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 1.34 110.798 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -68.23 -30.13 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 3.58 110.976 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' 2047 ' ' SER . 9.0 t30 -76.9 -20.93 55.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.579 0.704 . . . . 3.21 110.776 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.504 HG23 HD11 ' A' 2132 ' ' LEU . 1.3 p -110.67 -37.18 5.52 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 113.369 0.877 . . . . 1.52 113.369 -174.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 102.82 0.97 49.08 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.289 -0.958 . . . . 1.05 114.325 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.497 HD13 ' HB3' ' A' 2135 ' ' ARG . 0.1 OUTLIER -66.67 -170.29 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 122.13 0.967 . . . . 1.99 110.855 175.558 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2113 ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' 2115 ' ' PRO . 1.1 t70 -102.16 131.17 48.84 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.486 -1.233 . . . . 1.18 110.165 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.96 108.25 1.51 Allowed Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.618 -0.719 . . . . 3.41 112.611 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.483 ' HG2' HD21 ' A' 2118 ' ' LEU . 57.7 Cg_endo -92.06 126.85 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.197 2.598 . . . . 1.36 112.031 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.655 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 21.7 Cg_endo -61.86 -10.42 17.27 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.359 2.039 . . . . 0.94 112.343 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2117 ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 16.7 p -103.39 2.44 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 1.42 112.11 -174.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.483 HD21 ' HG2' ' A' 2115 ' ' PRO . 1.6 tm? -49.93 -66.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 1.38 111.857 -175.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.451 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.2 mm -79.72 -15.05 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.467 0.651 . . . . 1.12 110.307 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.1 m-85 -72.68 -36.65 67.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.63 -0.714 . . . . 4.38 110.389 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -37.6 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 2.0 112.098 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -132.1 62.01 61.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.266 -0.574 . . . . 0.87 112.422 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.436 ' C ' ' HG1' ' A' 2124 ' ' THR . 64.0 Cg_endo -82.09 105.47 1.49 Allowed 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.499 1.214 . . . . 0.48 111.095 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.436 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.75 147.29 0.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.711 -0.848 . . . . 1.12 108.711 175.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.497 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.1 Cg_exo -62.76 -57.91 0.38 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 121.385 1.39 . . . . 0.29 111.523 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.445 ' O ' ' HB ' ' A' 2129 ' ' THR . 79.6 t60 -64.49 -41.96 96.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 0.92 111.779 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.644 0.259 . . . . 1.1 111.204 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.407 HD13 ' CD1' ' A' 2106 ' ' LEU . 42.3 mt -62.16 -34.81 77.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 1.32 110.846 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' 2126 ' ' HIS . 89.5 m -53.32 -48.11 68.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.051 0.453 . . . . 1.1 110.07 176.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -63.46 -36.43 83.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.434 -0.803 . . . . 2.45 111.118 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' A' 2135 ' ' ARG . 46.9 t60 -62.34 -55.72 25.37 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 0.71 110.293 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.504 HD11 HG23 ' A' 2110 ' ' THR . 2.7 mm? -71.15 -25.72 62.68 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.678 -0.409 . . . . 1.27 110.709 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -63.85 -42.85 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.856 -0.424 . . . . 0.79 109.856 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.654 ' O ' ' HG2' ' A' 2138 ' ' GLN . 58.7 m -64.54 -37.0 86.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.881 -0.599 . . . . 1.38 110.61 176.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.9 mmp_? -57.66 -33.24 68.12 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.143 0.497 . . . . 3.81 110.876 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 10.2 mp -84.36 -41.2 16.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.507 -0.769 . . . . 2.85 111.003 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2137 ' ' THR . . . . . 0.457 ' OG1' ' HA ' ' A' 2134 ' ' THR . 21.1 p -70.75 -9.79 58.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.231 0.538 . . . . 1.65 110.853 -178.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' 2134 ' ' THR . 23.2 mm-40 -59.14 -22.59 61.15 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.446 -0.797 . . . . 3.15 110.728 171.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 3.5 m -84.93 75.18 10.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 3.76 110.51 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.683 -0.675 . . . . 7.57 111.291 178.397 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.607 ' O26' ' HG ' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 112.013 -0.435 . . . . 6.87 112.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 10.5 m -102.3 136.28 42.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.811 0.339 . . . . 4.62 110.512 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -6.67 28.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.348 0.594 . . . . 7.56 110.955 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.573 ' HB3' ' NE2' ' A' 2059 ' ' GLN . 15.1 mmt -60.42 -57.68 11.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.887 -1.051 . . . . 3.75 111.597 -176.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' 2050 ' ' ARG . 2.7 tmt_? -71.62 -18.14 62.23 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.392 -1.276 . . . . 10.18 110.186 -174.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.11 -51.04 14.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 6.93 111.202 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -92.27 114.68 27.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.274 0.472 . . . . 5.24 112.274 -173.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 38.9 38.93 0.8 Allowed Glycine 0 C--N 1.339 0.72 0 N-CA-C 116.192 1.237 . . . . 3.97 116.192 168.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' 2054 ' ' LEU . 0.1 OUTLIER -100.35 112.08 24.4 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.784 1.278 . . . . 3.72 112.065 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.521 ' O ' HD22 ' A' 2054 ' ' LEU . 7.0 m -102.83 150.63 37.94 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 112.525 -2.125 . . . . 2.3 106.087 163.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.487 ' O ' ' HG3' ' A' 2060 ' ' GLN . 50.2 Cg_exo -37.28 -43.78 1.21 Allowed 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.27 2.647 . . . . 1.99 114.982 -171.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.24 -30.05 64.51 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.681 0.623 . . . . 2.69 112.681 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.431 ' HG3' ' H ' ' A' 2055 ' ' SER . 0.0 OUTLIER -55.39 -51.24 67.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.942 0.401 . . . . 2.63 111.579 -177.554 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.6 ' O ' HD11 ' A' 2063 ' ' LEU . 8.8 mm100 -77.58 -35.31 53.15 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.733 -0.387 . . . . 2.83 111.73 -176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' 2056 ' ' PRO . 77.7 mt-30 -53.41 -47.56 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.168 0.432 . . . . 1.39 112.168 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.477 -0.489 . . . . 2.4 110.907 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -60.03 4.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 1.48 110.802 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' 2059 ' ' GLN . 5.3 mp -59.43 -37.41 78.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.28 -0.873 . . . . 1.61 112.152 -177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 1.1 110.828 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 34.9 m -83.3 -40.7 19.18 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.283 -0.636 . . . . 1.14 109.283 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.421 HD22 ' ND2' ' A' 2109 ' ' ASN . 20.0 tp -55.11 -62.05 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.147 -0.933 . . . . 1.1 111.11 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' 2063 ' ' LEU . 7.4 p -57.76 -41.25 79.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.023 -0.535 . . . . 1.38 111.487 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.505 ' HB2' HG13 ' A' 2083 ' ' ILE . . . -61.74 -49.16 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.144 -0.48 . . . . 1.06 110.945 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.408 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -68.16 -31.48 71.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 2074 ' ' VAL . . . -62.16 -64.52 0.91 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.865 -0.607 . . . . 1.07 109.718 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2071 ' ' THR . . . . . . . . . . . . . 11.2 t -59.81 -32.07 70.3 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.741 -0.663 . . . . 1.04 111.603 -174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' 2078 ' ' HIS . . . -72.31 -33.21 67.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.869 -0.605 . . . . 1.17 111.455 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 88.0 m -81.63 -32.78 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.301 0.375 . . . . 1.31 111.669 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' 2070 ' ' ALA . 1.5 t -51.84 -60.14 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.325 0.584 . . . . 1.48 109.807 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' 2075 ' ' LEU . 9.7 mp -73.44 -41.01 63.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.255 -0.884 . . . . 1.58 111.468 175.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 72.35 85.69 0.2 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.662 -0.975 . . . . 1.92 110.662 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 -3.65 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.589 0.959 . . . . 2.09 113.589 -169.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' 2072 ' ' ALA . 16.8 t60 -152.18 144.63 24.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.651 -0.82 . . . . 6.84 111.778 -168.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 10.8 m -73.74 128.38 86.95 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.498 -0.774 . . . . 1.9 109.07 171.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.408 ' HB3' ' N ' ' A' 2069 ' ' ALA . 24.5 Cg_exo -63.96 -23.18 68.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.627 2.218 . . . . 0.74 110.928 -177.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.09 -18.63 61.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.547 -1.206 . . . . 2.96 110.478 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.8 t -110.57 7.48 22.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.207 -0.906 . . . . 2.08 111.104 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' 2068 ' ' ALA . 7.3 mm -70.72 112.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 122.009 -0.432 . . . . 1.24 109.911 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.448 ' HB2' ' OG1' ' A' 2087 ' ' THR . 16.7 m -72.56 125.66 91.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.487 . . . . 1.07 110.57 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.475 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 54.5 Cg_endo -66.05 -32.18 44.47 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.701 2.934 . . . . 0.43 113.823 -174.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -83.23 -15.26 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.218 -0.446 . . . . 1.21 112.055 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.3 m -75.8 153.08 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.434 0.635 . . . . 1.06 110.771 -177.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.453 ' O ' HD23 ' A' 2092 ' ' LEU . . . -92.74 144.57 25.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.425 -0.807 . . . . 1.11 109.863 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.435 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 32.1 m-85 -57.88 -28.35 64.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.461 -0.336 . . . . 0.74 110.792 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.87 -52.34 24.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.606 -0.725 . . . . 3.31 109.949 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.02 -28.29 57.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.685 -1.143 . . . . 1.88 112.176 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' 2088 ' ' ALA . 0.4 OUTLIER -70.24 -20.56 63.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.027 -0.269 . . . . 1.33 110.889 176.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.42 4.41 13.7 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.748 -0.739 . . . . 0.29 112.285 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.435 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 32.2 mm -70.86 135.12 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.968 0.413 . . . . 1.09 111.319 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.15 -169.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.901 -0.777 . . . . 1.07 108.901 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.564 ' HB3' ' S1 ' ' A' 2201 ' ' 66S . 0.0 OUTLIER -69.55 -24.71 63.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.91 110.115 177.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.58 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.0 mt -76.51 -48.44 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.446 -1.252 . . . . 2.18 110.308 -175.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.2 p -82.26 -16.83 48.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.411 -0.813 . . . . 1.08 112.068 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.409 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.73 -42.04 87.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.068 0.461 . . . . 1.04 110.664 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.4 pp -73.7 -40.97 63.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.647 -0.421 . . . . 1.14 110.296 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.444 ' HA ' HD21 ' A' 2104 ' ' ASN . 16.7 mm-40 -58.63 -38.98 79.24 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 120.65 0.262 . . . . 0.72 111.307 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.431 HD22 HD12 ' A' 2106 ' ' LEU . 1.3 tt -61.49 -57.93 10.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.295 -0.411 . . . . 1.34 110.487 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -67.21 -20.48 65.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.277 -0.42 . . . . 3.14 111.253 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' 2101 ' ' GLU . 61.0 m-20 -57.18 -50.67 72.1 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.008 -0.367 . . . . 0.48 110.008 172.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.0 m -74.36 -36.79 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.531 . . . . 1.27 111.15 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.431 HD12 HD22 ' A' 2102 ' ' LEU . 89.8 mt -57.88 -49.54 76.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.947 0.403 . . . . 1.73 110.739 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.9 m -68.96 -33.42 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 1.34 110.431 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -62.31 -42.76 99.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.859 -0.61 . . . . 3.58 110.364 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.421 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.0 t30 -68.77 -35.94 77.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.892 -0.594 . . . . 3.21 110.947 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.503 ' HB ' HD22 ' A' 2136 ' ' LEU . 19.7 p -88.13 -34.67 17.79 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.773 -0.648 . . . . 1.52 112.729 -170.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.27 5.07 63.99 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.86 -0.686 . . . . 1.05 112.075 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.6 -170.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 1.99 110.913 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2113 ' ' ASP . . . . . 0.645 ' O ' ' HD3' ' A' 2115 ' ' PRO . 12.6 t70 -99.02 139.12 35.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.341 -0.845 . . . . 1.18 109.105 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 60.0 tp -79.37 106.21 4.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.542 0.571 . . . . 3.41 112.542 -172.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' A' 2113 ' ' ASP . 72.2 Cg_endo -91.45 136.73 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.025 2.483 . . . . 1.36 112.148 175.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.8 -5.5 17.31 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.34 2.026 . . . . 0.94 112.096 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2117 ' ' THR . . . . . 0.408 ' HA ' ' HB3' ' A' 2120 ' ' PHE . 4.8 p -102.85 2.6 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 1.42 111.579 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.457 HD21 ' HG2' ' A' 2115 ' ' PRO . 0.9 OUTLIER -52.28 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 1.38 111.799 -176.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' 2099 ' ' ALA . 31.3 mm -81.27 -14.62 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.625 . . . . 1.12 109.957 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.552 ' CD1' ' H3A' ' A' 2201 ' ' 66S . 68.7 t80 -69.11 -53.92 17.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 4.38 110.486 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2121 ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 19.9 t70 -82.25 -41.04 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.509 -0.769 . . . . 2.0 111.786 -172.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2122 ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 1.1 m-70 -122.76 58.2 10.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 118.98 -0.533 . . . . 0.87 111.906 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.565 ' C ' ' HG1' ' A' 2124 ' ' THR . 58.2 Cg_endo -81.24 104.3 1.5 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 CA-C-N 121.159 1.45 . . . . 0.48 111.453 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.565 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.62 146.39 0.61 Allowed Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 124.655 1.182 . . . . 1.12 107.834 170.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.475 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -60.81 -53.6 2.56 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 121.608 1.539 . . . . 0.29 111.422 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.478 ' O ' ' HB ' ' A' 2129 ' ' THR . 78.3 t60 -66.87 -34.57 78.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.92 111.932 -178.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.51 74.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.724 0.297 . . . . 1.1 111.069 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.2 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.459 -0.337 . . . . 1.32 110.179 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' 2133 ' ' HIS . 89.0 m -56.59 -36.54 69.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.144 -0.48 . . . . 1.1 110.707 175.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.32 -46.16 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 2.45 110.497 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' 2135 ' ' ARG . 64.0 t60 -58.91 -55.96 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.71 110.573 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.91 -28.25 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.823 -0.626 . . . . 1.27 110.833 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2133 ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' 2129 ' ' THR . 15.6 t-80 -63.36 -39.97 95.99 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.921 -0.4 . . . . 0.79 109.921 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 26.0 m -72.59 -39.96 66.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.001 -0.545 . . . . 1.38 110.495 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.3 mmp_? -57.06 -41.95 79.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 3.81 110.856 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.533 ' HB3' ' HG3' ' A' 2049 ' ' MET . 95.4 mt -83.16 -18.3 39.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.826 -1.079 . . . . 2.85 112.099 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 38.4 p -100.17 -19.8 16.26 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.143 0.496 . . . . 1.65 110.741 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -75.38 -47.46 27.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.583 -0.735 . . . . 3.15 110.712 176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 47.8 t -96.45 102.44 14.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.128 -0.487 . . . . 3.76 109.844 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.4 p80 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 118.11 -0.947 . . . . 7.57 110.859 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.564 ' S1 ' ' HB3' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.199 -0.36 . . . . 6.87 112.199 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 23.6 p -141.61 156.28 45.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.9 0.381 . . . . 4.62 110.215 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 3.9 p80 -84.43 22.01 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.391 0.615 . . . . 7.56 110.645 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.511 ' HG2' HD12 ' A' 2136 ' ' LEU . 0.1 OUTLIER -95.58 13.04 27.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.37 -0.832 . . . . 3.75 111.534 -174.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' 2052 ' ' ASN . 38.8 mmt180 -80.47 6.6 11.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.304 0.574 . . . . 10.18 110.942 -173.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.06 27.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.357 -0.838 . . . . 6.93 111.314 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' 2050 ' ' ARG . 7.6 p30 -39.86 150.02 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.876 0.87 . . . . 5.24 112.261 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.19 0.64 29.84 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.057 -1.217 . . . . 3.97 110.057 -169.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' 2059 ' ' GLN . 2.2 pp -74.86 138.39 42.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.369 -0.916 . . . . 3.72 110.059 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 10.6 t -79.16 143.78 61.53 Favored Pre-proline 0 C--N 1.318 -0.798 0 N-CA-C 107.213 -1.403 . . . . 2.3 107.213 168.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.433 ' O ' ' HG3' ' A' 2060 ' ' GLN . 49.5 Cg_exo -38.31 -44.19 1.98 Allowed 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.618 2.879 . . . . 1.99 114.708 -173.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.41 ' HA ' ' HB2' ' A' 2060 ' ' GLN . 95.7 mt-30 -69.4 -17.86 63.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.495 0.554 . . . . 2.69 112.495 -176.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' 2061 ' ' GLN . 81.1 mm-40 -59.77 -59.01 6.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.933 0.397 . . . . 2.63 110.372 177.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.57 ' O ' HD12 ' A' 2063 ' ' LEU . 4.8 mt-30 -65.19 -41.2 94.82 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.215 -0.448 . . . . 2.83 110.981 176.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' 2056 ' ' PRO . 96.1 mt-30 -53.83 -42.45 68.47 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.494 0.554 . . . . 1.39 112.494 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' 2058 ' ' GLN . 29.0 pt20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.994 -0.682 . . . . 2.4 110.696 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.2 m -55.68 -57.98 9.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 1.48 110.96 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' 2059 ' ' GLN . 5.8 mp -59.27 -36.88 76.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.669 -0.696 . . . . 1.61 111.719 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.76 74.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.957 0.408 . . . . 1.1 111.02 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.2 m -80.95 -37.93 28.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.35 -0.611 . . . . 1.14 109.35 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 16.6 tp -55.72 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.994 -1.003 . . . . 1.1 110.983 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -57.07 -41.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 1.38 111.374 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.486 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 1.06 111.148 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.2 73.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.616 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.685 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.99 -61.13 2.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.957 -0.565 . . . . 1.07 110.153 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.447 ' HB ' HD12 ' A' 2102 ' ' LEU . 13.7 t -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.851 -0.613 . . . . 1.04 111.145 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' 2083 ' ' ILE . . . -70.3 -23.42 62.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 1.17 111.624 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.3 m -90.22 -35.3 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.904 0.335 . . . . 1.31 111.904 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -65.69 -37.47 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.229 -0.656 . . . . 1.48 109.229 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 62.7 mt -88.16 -34.07 17.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.086 -0.961 . . . . 1.58 111.153 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 59.91 81.11 0.08 OUTLIER Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.056 -0.592 . . . . 1.92 111.64 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.38 3.37 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.425 0.898 . . . . 2.09 113.425 -169.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' 2072 ' ' ALA . 44.4 t60 -162.36 145.5 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.562 -0.855 . . . . 6.84 112.143 -169.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 97.9 m -72.59 122.11 86.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.561 -0.745 . . . . 1.9 109.804 172.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' 2068 ' ' ALA . 50.4 Cg_exo -55.71 -35.39 93.16 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.49 2.793 . . . . 0.74 112.5 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.92 -25.77 65.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.939 -0.573 . . . . 2.96 111.203 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 14.7 t -106.02 14.98 27.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.499 . . . . 2.08 111.419 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.486 HG13 ' HB3' ' A' 2068 ' ' ALA . 5.1 mm -72.69 112.87 9.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.909 -0.404 . . . . 1.24 109.909 175.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.6 m -73.48 125.75 90.42 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.195 0.521 . . . . 1.07 111.073 -176.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.42 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 59.8 Cg_endo -67.56 -32.46 31.17 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.813 3.009 . . . . 0.43 114.257 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.26 -13.54 58.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.18 0.437 . . . . 1.21 112.18 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.6 m -83.6 151.55 25.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.127 0.489 . . . . 1.06 110.493 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -90.61 141.73 28.48 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.656 . . . . 1.11 109.751 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.444 ' HZ ' ' CG2' ' A' 2067 ' ' VAL . 28.3 m-85 -52.13 -31.75 32.41 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.295 0.372 . . . . 0.74 111.291 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -49.89 -55.4 14.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.288 -0.869 . . . . 3.31 110.479 173.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.4 -28.92 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 1.88 111.597 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -21.26 66.19 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 122.257 -0.277 . . . . 1.33 111.462 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.83 -9.19 9.16 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.631 -0.795 . . . . 0.29 112.141 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2094 ' ' ILE . . . . . . . . . . . . . 28.2 mm -61.54 130.81 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 122.847 0.459 . . . . 1.09 111.603 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -103.42 -169.67 1.68 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.727 -0.842 . . . . 1.07 108.727 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.495 ' HB3' ' H43' ' A' 2201 ' ' 66S . 0.3 OUTLIER -74.65 -25.82 59.45 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.745 0.783 . . . . 0.91 109.324 174.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' 2100 ' ' LEU . 29.5 mt -72.31 -51.38 21.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.332 -1.304 . . . . 2.18 110.661 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -13.73 59.82 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.665 -0.698 . . . . 1.08 111.936 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' 2119 ' ' ILE . . . -59.75 -39.62 85.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 1.04 110.794 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -73.8 -41.56 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.588 -0.445 . . . . 1.14 110.504 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.504 ' N ' HD11 ' A' 2100 ' ' LEU . 9.4 mm-40 -59.56 -40.1 86.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.046 0.45 . . . . 0.72 111.479 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.1 tt -59.8 -55.02 39.46 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.063 -0.517 . . . . 1.34 110.655 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.545 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 19.1 ptt-85 -68.52 -22.21 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 3.14 110.868 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.429 HD21 ' HA ' ' A' 2101 ' ' GLU . 75.0 m-20 -58.74 -47.03 86.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.554 -0.536 . . . . 0.48 109.554 172.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2105 ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' 2109 ' ' ASN . 10.1 m -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 1.27 110.598 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 2102 ' ' LEU . 77.7 mt -56.57 -49.03 76.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 1.73 111.419 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 98.4 m -66.03 -42.76 89.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.418 . . . . 1.34 111.356 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.3 -29.84 65.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.222 -0.444 . . . . 3.58 110.65 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.4 t-20 -82.26 -11.62 58.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.83 -0.623 . . . . 3.21 110.836 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 21.8 p -106.22 -40.81 5.52 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.868 0.321 . . . . 1.52 111.868 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 104.06 17.94 14.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.832 -0.699 . . . . 1.05 111.628 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 37.4 mt -91.53 -169.84 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 1.99 110.936 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2113 ' ' ASP . . . . . 0.488 ' O ' ' HD3' ' A' 2115 ' ' PRO . 26.2 t70 -109.95 134.14 52.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.245 -0.889 . . . . 1.18 109.803 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.99 109.88 4.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 112.995 0.739 . . . . 3.41 112.995 -169.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' 2113 ' ' ASP . 73.4 Cg_endo -91.85 126.31 0.91 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.016 2.477 . . . . 1.36 111.883 172.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.545 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 40.1 Cg_endo -67.59 -9.4 25.28 Favored 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 122.192 1.928 . . . . 0.94 112.139 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2117 ' ' THR . . . . . 0.409 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 2.7 p -101.35 2.36 39.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.604 . . . . 1.42 111.756 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.466 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.3 tm? -49.52 -69.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 1.38 112.034 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' 2099 ' ' ALA . 35.3 mm -77.37 -16.35 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.435 0.636 . . . . 1.12 110.244 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.495 ' CD1' ' H2A' ' A' 2201 ' ' 66S . 2.7 m-30 -71.35 -37.71 71.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.685 -0.688 . . . . 4.38 110.441 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -95.94 -33.35 12.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.799 -0.637 . . . . 2.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -133.37 62.43 60.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 C-N-CA 120.522 -0.471 . . . . 0.87 111.848 -171.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -82.06 103.44 1.31 Allowed 'Trans proline' 0 N--CA 1.443 -1.45 0 CA-C-N 120.88 1.35 . . . . 0.48 111.201 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 142.22 0.45 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 114.942 -1.026 . . . . 1.12 108.641 172.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.42 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.3 Cg_exo -59.72 -55.63 1.62 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 121.837 1.691 . . . . 0.29 111.77 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 83.4 t60 -64.35 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.92 111.622 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.3 93.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 1.1 111.445 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.58 -37.45 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 1.32 110.962 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 56.5 m -53.66 -43.87 69.17 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.164 0.507 . . . . 1.1 110.412 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -68.58 -50.08 54.45 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.187 -0.915 . . . . 2.45 110.752 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.3 t60 -57.53 -54.18 49.71 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.449 . . . . 0.71 110.568 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -36.29 80.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.516 -0.766 . . . . 1.27 110.948 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -61.66 -35.13 77.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.27 . . . . 0.79 110.435 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 7.4 m -73.82 -40.35 63.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.476 . . . . 1.38 110.566 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.586 ' NE ' ' HA ' ' A' 2135 ' ' ARG . 2.5 mmp_? -55.09 -50.81 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 3.81 111.822 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' 2049 ' ' MET . 3.7 mm? -67.22 -39.82 86.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 2.85 112.055 -177.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 37.3 p -71.63 -26.37 62.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.326 0.584 . . . . 1.65 110.087 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -81.78 0.97 36.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.43 -0.805 . . . . 3.15 110.958 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 36.3 m -114.54 39.42 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.307 0.575 . . . . 3.76 109.826 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 39.5 t60 . . . . . 0 C--O 1.246 0.869 0 CA-C-N 115.619 -0.719 . . . . 7.57 110.221 -178.757 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.495 ' H2A' ' CD1' ' A' 2120 ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.919 -0.472 . . . . 6.87 111.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' 2049 ' ' MET . 51.0 m -116.29 55.39 0.81 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.838 0.351 . . . . 4.62 110.428 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -74.32 23.6 0.09 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.427 -0.351 . . . . 7.56 111.877 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.516 ' H ' ' C ' ' A' 2047 ' ' SER . 0.0 OUTLIER -40.09 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.128 1.159 . . . . 3.75 114.128 -177.164 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.421 ' H ' ' CG ' ' A' 2049 ' ' MET . 34.4 mmt180 -113.69 -1.34 14.02 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.507 0.558 . . . . 10.18 112.507 -173.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.524 ' HB3' HE21 ' A' 2059 ' ' GLN . 73.4 mt -120.43 21.8 11.51 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.594 -0.442 . . . . 6.93 111.936 -174.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.32 117.26 10.72 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.638 -0.425 . . . . 5.24 110.042 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 77.06 10.02 86.47 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.965 -0.561 . . . . 3.97 112.871 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.0 144.22 28.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.075 0.464 . . . . 3.72 110.997 -178.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.578 ' O ' ' HG3' ' A' 2059 ' ' GLN . 11.1 t -83.26 145.63 49.19 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.445 -0.798 . . . . 2.3 109.2 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.486 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 51.7 Cg_exo -38.4 -49.97 2.34 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 124.071 3.181 . . . . 1.99 114.53 -176.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' 2061 ' ' GLN . 30.6 tt0 -65.94 -44.78 84.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 120.858 0.361 . . . . 2.69 110.893 -178.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.35 -35.02 74.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 2.63 110.546 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' 2055 ' ' SER . 45.7 mt-30 -65.84 -44.71 84.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 2.83 110.7 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.27 -39.41 75.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.705 -0.225 . . . . 1.39 111.172 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' 2057 ' ' GLN . 42.4 mt-30 -57.42 -48.8 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.532 0.682 . . . . 2.4 109.944 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 93.8 m -54.29 -60.08 3.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.373 -1.285 . . . . 1.48 111.112 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' 2067 ' ' VAL . 6.7 mp -59.92 -37.41 79.37 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.783 -0.644 . . . . 1.61 112.303 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.92 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 1.1 110.941 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.8 m -86.89 -36.44 18.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.916 -0.584 . . . . 1.14 109.459 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.7 tp -58.01 -62.15 2.03 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.433 -0.803 . . . . 1.1 111.19 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -55.45 -38.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.961 -0.563 . . . . 1.38 111.281 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.15 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.391 -0.368 . . . . 1.06 110.56 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.55 -34.13 75.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.103 0.477 . . . . 1.0 110.427 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.642 ' O ' HG11 ' A' 2074 ' ' VAL . . . -62.29 -55.43 28.36 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.519 -0.764 . . . . 1.07 110.442 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.417 ' OG1' HD12 ' A' 2094 ' ' ILE . 6.4 t -69.56 -31.44 69.62 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.282 0.563 . . . . 1.04 110.843 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' 2078 ' ' HIS . . . -71.55 -20.83 61.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.916 -0.584 . . . . 1.17 110.753 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 98.3 m -82.59 -40.27 21.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.445 -0.343 . . . . 1.31 111.077 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.642 HG11 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -66.47 -40.63 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.466 0.65 . . . . 1.48 109.856 -177.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.3 mt -90.92 -36.11 14.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.232 -0.895 . . . . 1.58 111.885 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 59.69 80.48 0.09 OUTLIER Glycine 0 C--N 1.329 0.164 0 C-N-CA 120.772 -0.728 . . . . 1.92 111.416 -175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.32 -3.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.403 0.89 . . . . 2.09 113.403 -169.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.468 ' O ' ' HB3' ' A' 2072 ' ' ALA . 11.1 t60 -160.39 139.48 10.64 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.708 -0.797 . . . . 6.84 111.997 -170.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 62.6 m -67.53 120.47 73.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.924 -0.58 . . . . 1.9 109.498 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.447 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 53.9 Cg_exo -55.0 -29.25 63.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.385 2.723 . . . . 0.74 112.779 -175.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.08 -22.65 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 2.96 110.854 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 39.8 t -110.44 17.76 20.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.788 -0.642 . . . . 2.08 111.301 -172.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.465 HG12 ' CD2' ' A' 2078 ' ' HIS . 6.9 mt -87.26 118.39 33.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.033 -0.417 . . . . 1.24 110.393 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 44.7 m -75.77 132.48 74.68 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 1.07 111.646 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.5 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 58.3 Cg_endo -70.08 -31.23 19.47 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.636 2.891 . . . . 0.43 113.133 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.77 -13.86 60.64 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.167 -0.47 . . . . 1.21 111.601 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 8.2 m -79.28 157.81 27.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.293 0.568 . . . . 1.06 110.692 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -100.13 147.78 25.31 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.307 -0.861 . . . . 1.11 109.535 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.485 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 10.3 m-85 -62.3 -27.15 68.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.74 110.057 176.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -54.16 30.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 3.31 109.767 171.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.08 -40.94 74.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.848 -1.069 . . . . 1.88 111.492 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.47 -20.47 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.526 0.565 . . . . 1.33 112.526 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.48 10.94 6.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.19 -1.005 . . . . 0.29 113.841 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -73.96 122.35 26.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.206 0.526 . . . . 1.09 111.636 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2095 ' ' ASP . . . . . 0.647 ' HB3' H38A ' A' 2201 ' ' 66S . 48.7 m-20 -105.89 -164.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.947 -0.76 . . . . 1.07 108.947 173.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.438 ' HA ' ' O1 ' ' A' 2201 ' ' 66S . 1.2 p -74.75 -37.62 62.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.21 0.529 . . . . 0.91 111.478 -176.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.6 -40.83 63.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.437 -0.801 . . . . 2.18 110.689 -176.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -80.51 -15.2 57.28 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.904 -0.589 . . . . 1.08 112.154 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.3 -44.39 97.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.028 0.442 . . . . 1.04 110.22 173.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -70.05 -39.4 75.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.659 -0.416 . . . . 1.14 110.038 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.472 ' N ' HD11 ' A' 2100 ' ' LEU . 5.8 mm-40 -59.58 -40.97 89.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.143 -0.481 . . . . 0.72 111.526 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.4 tt -60.37 -54.55 44.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.392 -0.367 . . . . 1.34 110.497 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.566 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.1 ptt-85 -63.66 -33.14 74.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.542 -0.54 . . . . 3.14 109.542 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' 2101 ' ' GLU . 93.0 m-20 -55.14 -52.28 63.77 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.072 0.463 . . . . 0.48 110.028 174.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 24.9 m -60.1 -51.84 67.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.582 -0.735 . . . . 1.27 111.623 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 2102 ' ' LEU . 2.7 pp -72.9 -22.37 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.739 -0.384 . . . . 1.73 111.939 -176.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 97.0 m -73.35 -41.79 63.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.896 0.379 . . . . 1.34 110.131 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.275 -0.42 . . . . 3.58 110.534 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.11 -50.14 36.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 3.21 110.839 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.409 ' HA ' ' SD ' ' A' 2049 ' ' MET . 17.5 p -70.17 -38.51 75.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.868 -0.605 . . . . 1.52 111.652 -174.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 100.2 -29.15 12.81 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.816 -0.707 . . . . 1.05 112.481 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.69 -173.14 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 1.99 111.116 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 34.0 t70 -105.45 131.3 53.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.176 -0.466 . . . . 1.18 111.469 -173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.44 142.85 41.45 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 3.41 110.66 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.503 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -67.66 151.94 78.58 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.374 2.716 . . . . 1.36 113.451 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.566 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 57.0 Cg_endo -70.87 -2.71 11.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.125 2.55 . . . . 0.94 111.94 176.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.1 p -100.43 3.46 43.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.364 -0.834 . . . . 1.42 109.789 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.6 OUTLIER -40.05 -64.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.392 -1.276 . . . . 1.38 112.783 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' 2099 ' ' ALA . 34.9 mm -80.58 -8.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 1.12 110.589 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -80.22 -40.34 27.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.807 -0.633 . . . . 4.38 109.964 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -86.51 -44.09 12.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 2.0 111.953 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -130.22 63.35 68.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.87 111.983 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -81.43 104.4 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 CA-C-N 120.899 1.357 . . . . 0.48 111.393 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.21 144.88 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.983 -1.008 . . . . 1.12 108.693 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.479 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 37.8 Cg_exo -59.21 -58.65 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 121.748 1.632 . . . . 0.29 111.755 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.631 ' O ' ' HB ' ' A' 2129 ' ' THR . 78.4 t60 -63.38 -38.03 89.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.957 -0.565 . . . . 0.92 111.653 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.95 84.77 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.181 -0.208 . . . . 1.1 111.41 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.82 -37.35 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.836 -0.346 . . . . 1.32 110.399 172.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.631 ' HB ' ' O ' ' A' 2126 ' ' HIS . 96.3 m -53.17 -42.71 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 1.1 110.451 174.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' 2126 ' ' HIS . 21.0 mt-30 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.393 -0.822 . . . . 2.45 110.017 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.615 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.7 t60 -58.94 -54.8 43.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 0.71 110.72 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.29 -34.6 76.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.623 . . . . 1.27 111.362 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2133 ' ' HIS . . . . . 0.724 ' O ' ' HB ' ' A' 2137 ' ' THR . 17.2 t-80 -64.84 -45.25 86.92 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.79 109.03 177.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' 2138 ' ' GLN . 17.5 m -64.77 -17.28 64.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.982 -0.554 . . . . 1.38 111.477 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.6 mmp_? -76.75 -68.5 0.59 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.341 -0.849 . . . . 3.81 111.721 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 1.9 tp -78.44 -36.8 44.96 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.343 -0.389 . . . . 2.85 111.467 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2137 ' ' THR . . . . . 0.724 ' HB ' ' O ' ' A' 2133 ' ' HIS . 58.0 m -74.64 -38.76 62.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.082 0.468 . . . . 1.65 111.131 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.625 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.1 OUTLIER -77.16 -18.08 58.11 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.43 -0.582 . . . . 3.15 109.43 172.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 23.3 t 54.34 83.77 0.07 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.628 -0.714 . . . . 3.76 111.77 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 2.7 p80 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.161 -0.924 . . . . 7.57 109.831 178.373 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.658 ' H6A' H43A ' A' 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.527 -0.629 . . . . 6.87 111.527 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' A' 2052 ' ' ASN . 19.9 m -96.98 -171.21 2.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.823 0.344 . . . . 4.62 110.759 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -75.87 -45.16 37.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.317 -0.401 . . . . 7.56 111.285 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.432 ' SD ' HG22 ' A' 2110 ' ' THR . 26.4 mmt -106.25 -84.43 0.51 Allowed 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 118.839 -1.144 . . . . 3.75 112.462 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' 2049 ' ' MET . 3.9 mpt_? -121.83 -60.59 1.58 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 121.619 0.723 . . . . 10.18 112.391 174.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.29 26.16 5.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.744 -1.116 . . . . 6.93 112.028 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' 2047 ' ' SER . 66.1 t30 -38.22 151.14 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.628 0.973 . . . . 5.24 113.628 -168.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.48 22.19 6.2 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 109.776 -1.33 . . . . 3.97 109.776 -165.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 76.6 mt -97.56 169.06 9.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.25 -0.975 . . . . 3.72 111.015 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 22.7 m -77.04 156.21 82.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.012 -0.736 . . . . 2.3 109.012 171.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -38.34 -56.52 1.03 Allowed 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 123.878 3.052 . . . . 1.99 114.413 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.45 -36.46 76.65 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.716 0.294 . . . . 2.69 111.651 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -62.01 -33.03 73.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.533 0.683 . . . . 2.63 110.293 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.65 ' O ' HD11 ' A' 2063 ' ' LEU . 59.5 mt-30 -72.87 -53.21 11.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.54 -0.755 . . . . 2.83 110.137 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.61 -41.38 73.38 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 113.059 0.763 . . . . 1.39 113.059 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -58.8 -38.45 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.533 . . . . 2.4 110.452 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' 2059 ' ' GLN . 73.3 m -60.87 -58.4 8.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.555 -0.748 . . . . 1.48 110.762 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.65 HD11 ' O ' ' A' 2059 ' ' GLN . 6.2 mp -57.73 -40.21 79.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.815 . . . . 1.61 111.988 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.47 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.906 0.384 . . . . 1.1 110.793 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 28.2 m -83.73 -37.09 23.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 1.14 109.618 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.3 tp -58.34 -62.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.39 -0.823 . . . . 1.1 110.97 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.578 HG11 ' O ' ' A' 2063 ' ' LEU . 7.0 p -55.2 -39.4 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 1.38 111.326 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -60.04 -57.79 11.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.054 -0.521 . . . . 1.06 110.471 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.01 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 1.0 111.076 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.608 ' O ' HG12 ' A' 2074 ' ' VAL . . . -62.92 -54.1 43.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.914 -0.585 . . . . 1.07 110.773 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2071 ' ' THR . . . . . . . . . . . . . 5.8 t -70.81 -24.49 62.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 1.04 110.117 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' 2078 ' ' HIS . . . -71.79 -19.88 61.94 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.703 -1.135 . . . . 1.17 110.696 174.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 43.8 m -91.0 -37.41 13.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 1.31 111.312 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -71.57 -46.69 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.177 0.513 . . . . 1.48 109.833 -178.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' 2077 ' ' HIS . 56.4 mt -91.65 171.02 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.664 -0.698 . . . . 1.58 111.064 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -96.36 65.36 1.08 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.193 -0.527 . . . . 1.92 112.718 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.532 ' CD2' ' HB2' ' A' 2075 ' ' LEU . 17.4 p80 -155.0 55.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.021 -0.733 . . . . 2.09 109.021 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.497 ' HA ' ' HB3' ' A' 2072 ' ' ALA . 39.5 t-80 -77.48 68.24 3.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.015 0.912 . . . . 6.84 112.723 -168.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' 2081 ' ' GLU . 19.1 m -138.72 94.45 10.33 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 114.586 -1.188 . . . . 1.9 107.888 164.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.02 -19.69 69.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.788 2.325 . . . . 0.74 111.786 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2081 ' ' GLU . . . . . 0.429 ' HB3' HG21 ' A' 2079 ' ' THR . 39.1 tt0 -61.05 -34.93 75.65 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.138 -0.937 . . . . 2.96 111.18 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -89.34 1.92 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.987 -0.551 . . . . 2.08 110.872 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2083 ' ' ILE . . . . . . . . . . . . . 31.0 mt -88.76 114.36 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.152 -0.477 . . . . 1.24 110.338 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.505 ' HB2' ' OG1' ' A' 2087 ' ' THR . 14.6 m -83.69 131.83 50.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 1.07 110.185 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 38.1 Cg_endo -63.6 -30.5 70.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.516 2.811 . . . . 0.43 113.446 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -91.36 0.73 57.47 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.658 0.614 . . . . 1.21 112.658 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' 2084 ' ' SER . 3.0 m -87.14 145.7 26.32 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.349 -0.54 . . . . 1.06 110.259 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -84.31 137.37 33.48 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.518 -0.764 . . . . 1.11 109.681 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2089 ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -53.37 -29.25 33.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.888 -0.596 . . . . 0.74 111.853 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -48.29 69.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.165 0.507 . . . . 3.31 109.891 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.61 -35.57 77.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.88 111.539 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.68 -22.1 64.4 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 121.116 -0.234 . . . . 1.33 111.484 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.41 9.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.114 -1.041 . . . . 0.29 112.572 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2094 ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.22 124.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.873 0.368 . . . . 1.09 111.208 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -99.28 -165.51 1.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.046 -0.724 . . . . 1.07 109.046 173.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.588 ' HB3' ' H2 ' ' A' 2201 ' ' 66S . 0.2 OUTLIER -77.78 -19.77 54.48 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.662 -0.866 . . . . 0.91 108.662 171.498 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.728 ' O ' ' HG ' ' A' 2100 ' ' LEU . 27.5 mt -73.35 -60.15 2.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.269 -1.332 . . . . 2.18 110.727 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -8.02 54.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.831 -0.622 . . . . 1.08 111.88 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -67.26 -43.76 81.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 1.04 110.36 174.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -69.87 -37.22 76.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.748 -0.381 . . . . 1.14 110.087 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' 2100 ' ' LEU . 7.6 mm-40 -59.6 -40.51 87.72 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.72 111.288 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.534 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.5 OUTLIER -61.4 -47.52 85.43 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.262 -0.426 . . . . 1.34 110.001 176.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' 2099 ' ' ALA . 25.5 mtm-85 -59.09 -46.05 89.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.738 -0.467 . . . . 3.14 109.738 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -50.39 -47.31 56.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.77 -0.65 . . . . 0.48 110.659 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 9.9 m -68.31 -46.25 70.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.612 -0.722 . . . . 1.27 110.743 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.2 mt -63.48 -45.51 90.43 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.154 -0.475 . . . . 1.73 111.34 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 26.3 m -56.52 -44.2 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.219 0.533 . . . . 1.34 110.87 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 82.7 t60 -68.22 -22.62 64.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.668 -0.696 . . . . 3.58 111.231 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -102.29 -13.05 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.374 0.509 . . . . 3.21 112.374 -174.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.432 HG22 ' SD ' ' A' 2049 ' ' MET . 49.9 p -103.38 -16.37 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.289 0.566 . . . . 1.52 111.072 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 90.32 -33.32 4.58 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.73 -0.668 . . . . 1.05 113.554 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.8 -178.65 3.72 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.237 0.541 . . . . 1.99 111.909 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.25 156.59 31.34 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.944 -1.025 . . . . 1.18 110.949 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.5 tp -140.54 133.52 14.74 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.197 -0.456 . . . . 3.41 109.982 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.549 ' O ' ' HB2' ' A' 2118 ' ' LEU . 51.8 Cg_endo -70.23 149.8 64.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.019 2.479 . . . . 1.36 113.093 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.482 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 56.5 Cg_endo -70.92 -8.25 23.21 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.996 2.464 . . . . 0.94 112.431 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 9.9 p -100.24 4.72 44.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.111 -0.495 . . . . 1.42 110.384 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.32 -65.05 0.51 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.026 -0.988 . . . . 1.38 112.463 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' 2099 ' ' ALA . 35.8 mm -77.39 -28.14 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.206 0.527 . . . . 1.12 110.311 -177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.27 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.724 -0.671 . . . . 4.38 110.582 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2121 ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 7.3 t0 -82.67 -49.3 9.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.118 -0.946 . . . . 2.0 111.803 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2122 ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 2.8 m-70 -125.02 65.93 49.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.6 -0.44 . . . . 0.87 111.975 -170.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.481 ' C ' ' HG1' ' A' 2124 ' ' THR . 62.0 Cg_endo -82.38 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 CA-C-N 120.664 1.273 . . . . 0.48 111.4 177.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.481 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.71 143.97 0.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.35 -0.981 . . . . 1.12 108.35 172.187 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.486 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.2 Cg_exo -58.08 -59.13 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 121.715 1.61 . . . . 0.29 111.477 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.573 ' O ' ' HB ' ' A' 2129 ' ' THR . 70.4 t60 -66.13 -32.48 73.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.92 112.226 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.82 72.12 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.794 -0.363 . . . . 1.1 110.938 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.27 -36.22 79.44 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.911 -0.316 . . . . 1.32 110.246 171.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.573 ' HB ' ' O ' ' A' 2126 ' ' HIS . 52.9 m -52.96 -37.19 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 1.1 110.68 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' 2126 ' ' HIS . 37.0 mt-30 -71.54 -45.4 62.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.525 -0.761 . . . . 2.45 110.124 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 63.5 t60 -66.07 -45.17 82.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.71 110.614 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.18 -20.5 60.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.358 -0.383 . . . . 1.27 111.023 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -71.6 -29.88 65.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.415 -0.587 . . . . 0.79 109.415 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.44 ' O ' ' HG2' ' A' 2138 ' ' GLN . 25.9 m -69.56 -43.06 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 1.38 109.594 173.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' 2138 ' ' GLN . 26.4 mmm180 -60.83 -40.04 91.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 3.81 109.966 176.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.458 HD23 HD13 ' A' 2063 ' ' LEU . 12.7 tp -68.03 -43.16 79.36 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.434 -0.803 . . . . 2.85 111.966 178.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 11.0 p -71.98 -10.46 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 1.65 111.036 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.564 ' HB2' ' O ' ' A' 2135 ' ' ARG . 11.6 mm100 -68.96 -18.52 64.09 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.808 -0.633 . . . . 3.15 110.155 170.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 10.2 t 61.69 -157.95 0.33 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.056 -0.975 . . . . 3.76 111.242 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.957 -0.544 . . . . 7.57 109.722 177.465 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.588 ' H2 ' ' HB3' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.795 -0.522 . . . . 6.87 111.795 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 19.1 m -137.96 33.86 2.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 4.62 111.089 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.485 ' HA ' HD23 ' A' 2051 ' ' LEU . 64.6 m170 -93.51 20.8 6.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.692 0.758 . . . . 7.56 110.443 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 18.9 ptt? -56.89 -36.56 70.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.329 -1.305 . . . . 3.75 113.645 -176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -110.25 2.01 18.98 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 113.325 0.861 . . . . 10.18 113.325 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.55 ' HB3' ' NE2' ' A' 2059 ' ' GLN . 0.1 OUTLIER -102.32 22.53 13.2 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.259 -0.576 . . . . 6.93 111.473 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.78 117.69 8.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.685 -0.487 . . . . 5.24 109.685 175.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 76.62 -30.27 1.48 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.136 -0.554 . . . . 3.97 113.317 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.463 HD23 ' HB3' ' A' 2058 ' ' GLN . 80.9 mt -78.97 140.97 37.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.392 0.615 . . . . 3.72 111.91 -176.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.478 ' HB2' ' HD2' ' A' 2056 ' ' PRO . 35.8 p -92.66 169.04 11.29 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.228 -1.027 . . . . 2.3 108.228 169.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.478 ' HD2' ' HB2' ' A' 2055 ' ' SER . 49.8 Cg_exo -40.85 -45.34 4.9 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.99 2.46 . . . . 1.99 114.244 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -75.78 -39.91 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.596 0.236 . . . . 2.69 111.401 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.463 ' HB3' HD23 ' A' 2054 ' ' LEU . 15.0 mm-40 -59.36 -34.35 72.28 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.37 0.605 . . . . 2.63 110.226 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.55 ' NE2' ' HB3' ' A' 2051 ' ' LEU . 50.5 mt-30 -63.98 -57.36 9.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.461 -0.79 . . . . 2.83 110.674 175.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -49.77 -43.11 48.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.047 0.758 . . . . 1.39 113.047 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.01 -36.95 75.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.994 -0.682 . . . . 2.4 110.931 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 55.2 m -58.61 -57.9 10.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 1.48 110.665 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.606 ' O ' HG13 ' A' 2067 ' ' VAL . 7.7 mp -57.55 -40.05 78.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.626 -0.715 . . . . 1.61 111.37 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.45 69.94 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.389 0.431 . . . . 1.1 110.753 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 67.7 m -79.16 -34.85 42.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.286 0.565 . . . . 1.14 109.546 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 14.1 tp -62.83 -64.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 1.1 110.807 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' 2063 ' ' LEU . 7.6 p -54.86 -39.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 1.38 111.355 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.58 -56.47 21.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.507 -0.315 . . . . 1.06 110.511 174.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.421 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -60.15 -34.43 73.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.899 0.38 . . . . 1.0 110.186 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' 2074 ' ' VAL . . . -61.19 -56.18 23.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.479 -0.782 . . . . 1.07 110.782 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.469 ' OG1' HD12 ' A' 2094 ' ' ILE . 9.9 t -68.31 -29.66 68.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.205 0.526 . . . . 1.04 110.955 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.419 ' CB ' ' HA ' ' A' 2078 ' ' HIS . . . -73.31 -19.11 61.11 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.638 -0.71 . . . . 1.17 110.779 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 39.5 m -84.99 -31.85 23.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.285 -0.416 . . . . 1.31 110.643 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -73.08 -37.71 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.437 0.637 . . . . 1.48 109.547 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 74.6 mt -87.96 -175.1 4.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.314 -0.857 . . . . 1.58 111.257 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -79.59 -57.93 3.0 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.716 -0.754 . . . . 1.92 111.748 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 32.1 p80 -60.73 140.55 57.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.923 -0.399 . . . . 2.09 109.923 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.419 ' HA ' ' CB ' ' A' 2072 ' ' ALA . 43.1 t-80 -140.78 69.35 1.34 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.724 0.773 . . . . 6.84 111.469 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.41 ' O ' HG13 ' A' 2083 ' ' ILE . 28.1 m -122.73 97.43 44.26 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.027 -0.988 . . . . 1.9 108.369 166.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.421 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 17.1 Cg_exo -67.01 -16.57 49.81 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.37 2.047 . . . . 0.74 111.156 -175.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.2 -44.19 76.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.652 -1.158 . . . . 2.96 111.325 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 59.5 p -77.53 -18.27 57.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 2.08 110.932 -173.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' 2079 ' ' THR . 9.8 mt -67.93 97.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.046 -0.979 . . . . 1.24 110.495 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.496 ' HB2' ' OG1' ' A' 2087 ' ' THR . 15.6 m -79.17 131.67 65.44 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.645 -0.707 . . . . 1.07 111.03 -175.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 30.7 Cg_endo -62.22 -32.06 82.46 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.651 2.9 . . . . 0.43 113.16 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.93 -15.42 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 1.21 111.561 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.535 ' O ' HG22 ' A' 2124 ' ' THR . 2.6 m -84.92 148.95 25.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.186 0.517 . . . . 1.06 110.513 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -86.78 143.57 27.46 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.238 -0.892 . . . . 1.11 110.005 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2089 ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -52.79 -32.22 42.72 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.44 0.462 . . . . 0.74 110.824 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -49.67 -61.11 2.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.634 0.731 . . . . 3.31 110.503 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' 2087 ' ' THR . 12.6 m-20 -59.86 -34.69 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.307 -1.315 . . . . 1.88 111.868 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.48 -22.17 65.48 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.048 -0.261 . . . . 1.33 111.652 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.71 -7.19 7.86 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.642 -0.79 . . . . 0.29 112.558 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.469 HD12 ' OG1' ' A' 2071 ' ' THR . 27.9 mm -63.09 126.61 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 1.09 112.036 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -103.91 -166.84 1.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.427 -0.953 . . . . 1.07 108.427 171.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.456 ' OG ' H37A ' A' 2201 ' ' 66S . 2.0 p -72.86 -31.57 64.83 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.69 0.757 . . . . 0.91 109.468 174.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.684 ' O ' ' HG ' ' A' 2100 ' ' LEU . 21.9 mt -63.08 -59.87 4.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.593 -1.185 . . . . 2.18 110.785 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.2 p -74.0 -9.86 59.06 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.247 -0.888 . . . . 1.08 112.626 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.54 -41.86 97.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.428 . . . . 1.04 110.443 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -75.43 -34.25 60.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.238 -0.437 . . . . 1.14 110.771 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.51 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -61.36 -37.43 83.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.72 111.087 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.6 OUTLIER -63.9 -50.1 70.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.548 -0.538 . . . . 1.34 109.548 175.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.548 ' NH1' ' HA ' ' A' 2116 ' ' PRO . 42.2 mtm105 -54.05 -45.27 71.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.214 -0.903 . . . . 3.14 109.46 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -53.15 -49.69 66.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.519 -0.764 . . . . 0.48 111.111 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 34.9 m -63.56 -55.71 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 1.27 112.418 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' 2102 ' ' LEU . 1.9 pp -68.27 -20.3 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.808 -0.357 . . . . 1.73 111.913 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.517 ' OG1' ' HG ' ' A' 2114 ' ' LEU . 91.6 m -73.56 -33.03 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.059 0.457 . . . . 1.34 110.49 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.19 -18.74 61.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.312 0.577 . . . . 3.58 109.937 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -93.16 -21.19 19.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 3.21 111.491 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 9.7 p -103.34 -41.63 5.97 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.91 -0.316 . . . . 1.52 111.775 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.7 73.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 1.05 112.489 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.88 -171.07 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.802 0.334 . . . . 1.99 110.821 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -112.21 116.68 30.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.96 -0.564 . . . . 1.18 110.654 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.517 ' HG ' ' OG1' ' A' 2107 ' ' THR . 0.0 OUTLIER -99.21 161.63 24.08 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.428 -0.806 . . . . 3.41 111.641 -170.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -91.85 147.56 3.22 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.795 2.997 . . . . 1.36 113.19 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.548 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 40.9 Cg_endo -68.91 -2.43 9.54 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.64 2.227 . . . . 0.94 111.892 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 6.4 p -95.38 -0.81 52.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.87 -0.605 . . . . 1.42 112.209 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.443 ' HB2' ' HD3' ' A' 2103 ' ' ARG . 4.9 mt -40.3 -70.41 0.1 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.954 0.724 . . . . 1.38 112.954 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 10.6 mm -83.22 -1.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.786 0.803 . . . . 1.12 110.208 -172.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.39 -49.17 7.11 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.41 -0.814 . . . . 4.38 110.064 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -98.14 -37.53 9.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 2.0 111.565 -173.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -120.29 44.2 0.66 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 118.828 -0.606 . . . . 0.87 112.544 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.69 ' O ' HG21 ' A' 2124 ' ' THR . 63.8 Cg_endo -82.32 106.53 1.56 Allowed 'Trans proline' 0 N--CA 1.446 -1.31 0 CA-C-N 121.258 1.485 . . . . 0.48 113.09 -175.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.69 HG21 ' O ' ' A' 2123 ' ' PRO . 5.9 p -176.45 160.77 1.75 Allowed Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 105.026 -2.213 . . . . 1.12 105.026 163.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.471 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.9 Cg_exo -56.74 -36.41 98.45 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 CA-C-N 120.583 1.244 . . . . 0.29 110.63 172.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.509 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 82.8 t60 -77.59 -50.58 12.24 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.709 -0.678 . . . . 0.92 112.339 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.748 0.308 . . . . 1.1 111.186 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 6.0 tp -67.46 -39.25 85.33 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.811 0.339 . . . . 1.32 110.159 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' 2126 ' ' HIS . 32.9 m -54.64 -45.45 73.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.738 -0.664 . . . . 1.1 110.984 174.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -56.29 -45.76 80.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.774 -0.648 . . . . 2.45 111.203 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.42 -49.62 73.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.217 -0.447 . . . . 0.71 110.771 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.03 -24.44 63.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.016 -0.538 . . . . 1.27 111.397 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -70.72 -36.33 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.79 109.476 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -29.94 68.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.68 -0.691 . . . . 1.38 109.932 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.494 ' O ' ' HA ' ' A' 2139 ' ' SER . 7.9 mmm180 -62.44 -27.85 69.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 3.81 110.591 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.477 ' HB3' ' CD2' ' A' 2051 ' ' LEU . 87.9 mt -93.06 -41.16 10.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.714 -0.676 . . . . 2.85 111.833 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 35.8 p -89.19 -38.83 13.98 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.221 0.534 . . . . 1.65 110.706 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.38 -23.96 19.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.421 -0.809 . . . . 3.15 110.74 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2139 ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' 2135 ' ' ARG . 12.5 t 65.12 -160.92 0.28 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.569 -0.741 . . . . 3.76 110.6 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.488 -0.768 . . . . 7.57 109.822 177.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.604 H30A HD12 ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.968 0 N-CA-C 112.425 -0.27 . . . . 6.87 112.425 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 7.4 m -130.35 30.1 4.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.075 0.464 . . . . 4.62 111.169 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.406 ' O ' ' HD2' ' A' 2050 ' ' ARG . 39.7 m170 -87.0 23.14 1.83 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.001 0.905 . . . . 7.56 110.114 176.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 21.2 ptt? -76.3 22.67 0.16 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.489 -1.232 . . . . 3.75 112.204 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.45 ' HB3' ' HA ' ' A' 2137 ' ' THR . 0.0 OUTLIER -49.59 -53.41 24.01 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.968 0.729 . . . . 10.18 112.968 -168.204 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -122.49 12.45 10.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.991 -0.284 . . . . 6.93 111.443 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' 2054 ' ' LEU . 3.9 m-20 -76.5 115.44 16.25 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.633 -0.427 . . . . 5.24 111.26 -173.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 64.82 -11.74 0.25 Allowed Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.901 -0.591 . . . . 3.97 114.523 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.528 HD11 ' O ' ' A' 2055 ' ' SER . 0.0 OUTLIER -100.99 131.86 46.67 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.225 0.535 . . . . 3.72 111.98 -172.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.528 ' O ' HD11 ' A' 2054 ' ' LEU . 22.2 t -99.63 143.05 25.72 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 107.263 -1.384 . . . . 2.3 107.263 167.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.456 ' O ' ' HG3' ' A' 2060 ' ' GLN . 56.5 Cg_exo -35.74 -49.34 1.03 Allowed 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 124.062 3.175 . . . . 1.99 115.571 -167.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.63 -27.39 67.65 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.356 0.502 . . . . 2.69 112.356 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 14.5 mm-40 -59.61 -50.69 72.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.884 0.373 . . . . 2.63 111.739 -176.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.574 ' O ' HD13 ' A' 2063 ' ' LEU . 8.2 mm100 -73.78 -34.17 64.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.207 -0.597 . . . . 2.83 110.983 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' 2056 ' ' PRO . 74.6 mt-30 -58.91 -42.28 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.657 -0.417 . . . . 1.39 111.866 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.4 -39.55 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.121 -0.632 . . . . 2.4 110.275 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 90.4 m -56.46 -60.27 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.674 . . . . 1.48 110.813 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' 2059 ' ' GLN . 5.2 mp -59.37 -37.55 78.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.818 -0.628 . . . . 1.61 112.216 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.8 -32.43 74.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.117 0.484 . . . . 1.1 110.739 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 29.4 m -82.75 -34.64 27.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.272 -0.64 . . . . 1.14 109.272 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.452 HD22 ' ND2' ' A' 2109 ' ' ASN . 12.7 tp -57.67 -60.83 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.36 -0.836 . . . . 1.1 110.801 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.485 ' HA ' HD23 ' A' 2106 ' ' LEU . 7.2 p -55.48 -42.22 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.951 -0.568 . . . . 1.38 111.399 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.9 61.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.322 -0.399 . . . . 1.06 110.737 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.463 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.99 -29.37 70.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.766 0.317 . . . . 1.0 110.532 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.3 -62.52 1.63 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.581 -0.525 . . . . 1.07 109.581 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.46 ' HB ' HD13 ' A' 2102 ' ' LEU . 12.1 t -64.36 -34.27 77.77 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.295 0.569 . . . . 1.04 110.946 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' 2078 ' ' HIS . . . -66.85 -27.6 67.67 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.627 -0.715 . . . . 1.17 110.957 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 52.9 m -90.81 -34.19 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.059 0.392 . . . . 1.31 112.059 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.35 -35.44 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.882 -0.784 . . . . 1.48 108.882 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.453 HD22 HG23 ' A' 2098 ' ' THR . 60.9 mt -90.4 -39.63 12.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.353 -1.294 . . . . 1.58 111.102 173.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 63.91 79.09 0.17 Allowed Glycine 0 C--N 1.328 0.115 0 N-CA-C 110.929 -0.868 . . . . 1.92 110.929 -175.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.51 -4.9 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.766 1.025 . . . . 2.09 113.766 -167.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' 2072 ' ' ALA . 27.1 t60 -156.25 145.41 20.55 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 119.855 -0.738 . . . . 6.84 111.991 -166.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 91.5 m -73.46 117.28 59.25 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.756 -0.656 . . . . 1.9 109.706 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.463 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 61.6 Cg_exo -53.92 -34.23 75.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.412 2.741 . . . . 0.74 112.762 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.52 -25.65 67.42 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.147 -0.479 . . . . 2.96 111.109 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 17.2 t -102.07 19.24 18.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.138 -0.483 . . . . 2.08 111.023 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2083 ' ' ILE . . . . . . . . . . . . . 9.8 mt -89.56 117.74 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.116 0.484 . . . . 1.24 110.569 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.8 m -75.74 131.33 76.9 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 1.07 111.26 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.491 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.2 Cg_endo -66.16 -30.58 46.38 Favored 'Trans proline' 0 N--CA 1.471 0.183 0 C-N-CA 123.79 2.993 . . . . 0.43 113.918 -172.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.46 -3.42 57.67 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.766 0.654 . . . . 1.21 112.766 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.4 m -84.37 150.49 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.632 0.73 . . . . 1.06 111.048 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.408 ' O ' HD21 ' A' 2092 ' ' LEU . . . -85.29 136.03 33.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.968 -1.015 . . . . 1.11 109.457 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.472 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 29.8 m-85 -52.47 -29.7 26.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.74 111.979 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.842 ' HB2' H43A ' A' 2201 ' ' 66S . 9.9 ttpt -51.08 -57.8 7.74 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.465 0.478 . . . . 3.31 110.849 172.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2091 ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' 2090 ' ' LYS . 16.6 t70 -54.26 -39.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 1.88 112.095 177.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' 2088 ' ' ALA . 1.0 OUTLIER -69.01 -21.16 64.15 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.712 0.264 . . . . 1.33 111.712 -178.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.12 6.41 5.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.716 -0.754 . . . . 0.29 112.657 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 46.1 mm -84.09 138.86 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.959 0.409 . . . . 1.09 111.828 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2095 ' ' ASP . . . . . 0.63 ' HB3' ' H32' ' A' 2201 ' ' 66S . 26.8 t0 -139.32 -163.51 1.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.462 -0.94 . . . . 1.07 108.462 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.499 ' H ' ' CG ' ' A' 2095 ' ' ASP . 0.2 OUTLIER -55.24 -36.86 66.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.35 0.595 . . . . 0.91 111.763 -175.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.711 ' O ' ' HG ' ' A' 2100 ' ' LEU . 15.9 tp -63.87 -60.27 3.49 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.819 -1.082 . . . . 2.18 111.78 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.453 HG23 HD22 ' A' 2075 ' ' LEU . 8.3 p -82.17 -12.26 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.94 -0.573 . . . . 1.08 112.372 -174.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.54 82.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.922 0.392 . . . . 1.04 110.054 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -76.2 -38.62 56.26 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.429 -0.508 . . . . 1.14 110.057 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.41 ' N ' HD11 ' A' 2100 ' ' LEU . 5.7 mm-40 -63.75 -43.78 95.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.9 0.381 . . . . 0.72 111.168 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.3 tt -56.65 -55.78 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.054 -0.521 . . . . 1.34 110.135 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -53.33 -43.96 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.877 -0.601 . . . . 3.14 110.943 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.4 m-20 -51.14 -51.22 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.48 110.656 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.1 m -62.1 -44.62 96.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 1.27 110.6 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' 2102 ' ' LEU . 82.2 mt -60.46 -40.75 92.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 1.73 110.684 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.8 m -65.3 -45.77 83.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.355 -0.839 . . . . 1.34 110.969 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 39.7 m170 -72.97 -24.0 60.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.858 -0.61 . . . . 3.58 111.712 -174.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.452 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.2 t30 -69.13 -46.3 67.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 3.21 111.289 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 1.4 p -88.29 -39.78 14.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.101 0.408 . . . . 1.52 112.101 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 113.0 -13.58 24.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.44 -0.886 . . . . 1.05 112.447 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.02 -170.07 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.614 0.245 . . . . 1.99 110.565 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -122.65 133.42 54.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 1.18 110.054 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.31 140.93 24.21 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.876 0.369 . . . . 3.41 111.304 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.55 ' O ' ' HB2' ' A' 2118 ' ' LEU . 37.2 Cg_endo -67.88 147.96 75.66 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.176 2.584 . . . . 1.36 112.135 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.51 -8.82 11.66 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.204 2.603 . . . . 0.94 112.456 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2117 ' ' THR . . . . . 0.511 ' HB ' ' OD2' ' A' 2121 ' ' ASP . 2.8 p -96.63 3.89 52.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.629 . . . . 1.42 110.549 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -44.07 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.247 -0.888 . . . . 1.38 112.083 176.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 41.7 mm -76.31 -19.36 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.681 0.753 . . . . 1.12 109.777 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.405 ' HB3' ' HA ' ' A' 2117 ' ' THR . 26.9 t80 -63.11 -48.37 78.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.858 -1.065 . . . . 4.38 110.154 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2121 ' ' ASP . . . . . 0.511 ' OD2' ' HB ' ' A' 2117 ' ' THR . 6.0 m-20 -87.45 -42.68 12.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 2.0 112.531 -175.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -124.98 62.79 37.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 120.113 -0.635 . . . . 0.87 112.146 -170.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.511 ' HG3' ' H3 ' ' A' 2201 ' ' 66S . 71.0 Cg_endo -81.82 104.76 1.46 Allowed 'Trans proline' 0 N--CA 1.442 -1.503 0 CA-C-N 120.512 1.218 . . . . 0.48 111.119 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.46 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.63 142.58 0.48 Allowed Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 124.487 1.115 . . . . 1.12 108.348 170.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.491 ' HD2' ' O ' ' A' 2085 ' ' PRO . 40.1 Cg_exo -57.69 -54.65 3.1 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.737 1.625 . . . . 0.29 111.902 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.502 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.4 t60 -66.91 -38.31 85.99 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.159 -0.473 . . . . 0.92 111.581 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.6 91.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.37 -0.377 . . . . 1.1 111.261 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 1.32 110.704 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' 2126 ' ' HIS . 97.3 m -55.37 -51.13 67.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.186 0.517 . . . . 1.1 110.392 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.27 -39.7 94.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.32 -0.855 . . . . 2.45 110.532 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.675 ' O ' ' HG2' ' A' 2135 ' ' ARG . 86.3 t60 -60.32 -59.97 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.71 110.383 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.51 -31.48 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.27 111.292 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.84 -52.6 49.08 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.692 -0.484 . . . . 0.79 109.692 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.462 ' O ' ' HB3' ' A' 2138 ' ' GLN . 30.1 m -56.67 -40.75 76.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 1.38 111.295 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' 2131 ' ' HIS . 1.8 mmp_? -47.14 -57.77 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.404 0.52 . . . . 3.81 112.404 -177.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 97.3 mt -89.85 -32.25 16.98 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.64 0.607 . . . . 2.85 112.64 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2137 ' ' THR . . . . . 0.45 ' HA ' ' HB3' ' A' 2050 ' ' ARG . 69.8 p -76.99 -32.32 57.14 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.271 -0.571 . . . . 1.65 110.686 -173.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.0 OUTLIER -86.25 -13.59 46.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.489 -0.778 . . . . 3.15 110.044 177.214 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2139 ' ' SER . . . . . 0.543 ' HB2' ' O ' ' A' 2135 ' ' ARG . 31.3 t -73.01 163.35 28.3 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.84 -0.618 . . . . 3.76 110.594 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.793 -0.622 . . . . 7.57 109.801 178.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.93 ' H2 ' ' H8B' ' A' 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.811 0 N-CA-C 112.083 -0.407 . . . . 6.87 112.083 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' 2049 ' ' MET . 35.0 t -113.8 156.11 24.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 4.62 110.762 -176.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.644 ' HA ' ' O ' ' A' 2051 ' ' LEU . 1.2 p80 -70.98 23.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.338 -0.847 . . . . 7.56 111.608 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.521 ' H ' ' C ' ' A' 2047 ' ' SER . 13.3 mmt -50.03 -56.79 9.34 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 113.41 0.893 . . . . 3.75 113.41 -171.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -89.27 -69.44 0.71 Allowed 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 116.977 -1.889 . . . . 10.18 108.593 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.644 ' O ' ' HA ' ' A' 2048 ' ' HIS . 92.2 mt -138.74 -64.61 0.51 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 122.208 1.004 . . . . 6.93 109.439 144.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -104.3 151.66 23.16 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 113.736 -1.574 . . . . 5.24 112.074 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 39.85 62.92 1.34 Allowed Glycine 0 N--CA 1.466 0.656 0 N-CA-C 115.521 0.968 . . . . 3.97 115.521 158.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.643 HD11 ' O ' ' A' 2054 ' ' LEU . 0.0 OUTLIER -52.42 147.03 8.64 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 121.462 0.648 . . . . 3.72 110.698 178.193 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.542 ' N ' HD22 ' A' 2054 ' ' LEU . 11.8 m -92.53 139.39 23.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.177 -0.675 . . . . 2.3 109.177 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -38.18 -50.76 2.13 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.889 3.059 . . . . 1.99 115.116 -171.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.638 ' O ' ' HG3' ' A' 2061 ' ' GLN . 49.4 mt-30 -72.43 -25.26 61.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.076 0.399 . . . . 2.69 112.076 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.422 ' HG2' ' HB2' ' A' 2055 ' ' SER . 31.3 mm-40 -53.9 -56.02 21.54 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.245 0.545 . . . . 2.63 111.58 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.495 ' HG3' ' HG ' ' A' 2054 ' ' LEU . 5.5 mm100 -68.53 -36.14 78.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.801 -0.636 . . . . 2.83 111.441 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.72 -18.41 42.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.865 0.32 . . . . 1.39 111.865 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.638 ' HG3' ' O ' ' A' 2057 ' ' GLN . 33.3 mt-30 -81.57 -60.37 2.28 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.167 -0.679 . . . . 2.4 109.167 172.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 96.9 m -47.43 -57.67 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.189 -1.368 . . . . 1.48 111.518 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.56 ' O ' HG13 ' A' 2067 ' ' VAL . 2.7 mp -59.82 -46.86 87.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 1.61 111.786 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -59.25 -32.69 70.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.851 0.358 . . . . 1.1 111.312 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 6.4 m -82.69 -37.49 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.349 -0.612 . . . . 1.14 109.349 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.67 -63.76 1.19 Allowed 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.062 -0.972 . . . . 1.1 111.042 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' 2063 ' ' LEU . 7.7 p -50.89 -41.34 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 1.38 111.311 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.07 6.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.785 -0.643 . . . . 1.06 111.086 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.711 0.291 . . . . 1.0 111.329 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.58 ' O ' HG11 ' A' 2074 ' ' VAL . . . -66.54 -52.78 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 1.07 110.44 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.435 ' OG1' HD12 ' A' 2094 ' ' ILE . 14.5 t -71.39 -28.3 63.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.912 0.863 . . . . 1.04 109.924 -175.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.498 ' HB2' ' HA ' ' A' 2078 ' ' HIS . . . -68.25 -16.97 64.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.545 -1.207 . . . . 1.17 110.67 174.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 40.9 m -90.77 -35.24 14.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.408 -0.36 . . . . 1.31 111.185 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -75.42 -37.06 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.51 0.671 . . . . 1.48 110.194 -177.368 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.418 HD21 HD13 ' A' 2094 ' ' ILE . 62.8 mt -86.86 175.57 8.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.205 -0.907 . . . . 1.58 111.48 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -89.72 16.96 55.33 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.755 -0.657 . . . . 1.92 112.8 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 32.2 p80 -131.89 130.51 41.72 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.489 -0.93 . . . . 2.09 108.489 176.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.498 ' HA ' ' HB2' ' A' 2072 ' ' ALA . 47.7 t-80 -127.64 60.35 1.43 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.043 0.925 . . . . 6.84 111.905 -177.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 3.2 m -123.67 101.48 36.6 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 108.117 -1.068 . . . . 1.9 108.117 165.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.8 -15.06 36.75 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 122.507 2.138 . . . . 0.74 110.643 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.2 -33.88 77.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.151 -1.386 . . . . 2.96 110.658 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 30.3 t -85.36 -5.2 59.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.044 -0.98 . . . . 2.08 110.707 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.424 HD12 ' CG2' ' A' 2071 ' ' THR . 29.2 mt -86.67 94.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.185 0.517 . . . . 1.24 110.06 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.419 ' HB2' ' OG1' ' A' 2087 ' ' THR . 17.3 m -79.09 135.83 58.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.557 -0.747 . . . . 1.07 110.853 -176.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 56.3 Cg_endo -66.46 -29.7 44.71 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.629 2.886 . . . . 0.43 113.522 -173.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.46 -19.08 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.424 -0.353 . . . . 1.21 111.454 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.9 m -80.5 156.39 26.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.296 0.57 . . . . 1.06 110.603 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.473 ' O ' HD21 ' A' 2092 ' ' LEU . . . -95.02 146.33 24.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.613 -0.721 . . . . 1.11 110.481 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.503 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 19.6 m-85 -55.71 -28.55 56.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.74 111.051 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -47.01 -62.77 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.955 0.883 . . . . 3.31 110.566 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.12 -28.14 67.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.025 -1.443 . . . . 1.88 111.909 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.473 HD21 ' O ' ' A' 2088 ' ' ALA . 0.1 OUTLIER -73.36 -21.48 60.52 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.967 -0.293 . . . . 1.33 111.706 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.57 2.78 8.04 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.096 -1.049 . . . . 0.29 113.523 174.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 23.9 mm -73.83 128.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.068 0.461 . . . . 1.09 112.215 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -112.31 -164.2 0.9 Allowed 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.51 -0.922 . . . . 1.07 108.51 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -33.83 66.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.007 -0.677 . . . . 0.91 110.579 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' 2100 ' ' LEU . 14.1 mt -62.29 -48.17 81.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.37 -0.832 . . . . 2.18 110.336 -177.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.0 p -86.81 -11.64 50.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.059 -0.973 . . . . 1.08 112.229 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' 2119 ' ' ILE . . . -64.11 -41.45 97.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.071 0.462 . . . . 1.04 109.83 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' 2101 ' ' GLU . 3.7 pp -73.27 -39.06 65.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.193 -0.458 . . . . 1.14 110.24 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.473 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -60.37 -42.75 96.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.967 0.413 . . . . 0.72 111.345 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.8 tp -62.57 -50.67 70.38 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 116.011 -0.541 . . . . 1.34 110.67 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' 2115 ' ' PRO . 37.8 ttp180 -57.99 -40.62 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.058 -0.519 . . . . 3.14 110.739 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.5 m-20 -50.52 -49.42 55.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.072 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2105 ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' 2109 ' ' ASN . 18.0 m -68.25 -45.21 73.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 1.27 110.371 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.6 mt -57.37 -43.83 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 1.73 111.217 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' 2114 ' ' LEU . 27.5 m -64.58 -46.78 81.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.775 -0.648 . . . . 1.34 111.004 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 83.4 t60 -72.74 -33.12 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 3.58 111.373 -176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' 2105 ' ' THR . 2.7 t-20 -72.11 -35.67 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 3.21 111.068 -175.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 22.6 p -88.78 -39.82 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.479 -0.328 . . . . 1.52 111.385 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 111.01 -26.95 11.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.63 -0.795 . . . . 1.05 112.261 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' 2135 ' ' ARG . 95.4 mt -77.25 -175.15 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.316 0.579 . . . . 1.99 111.311 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -112.27 124.62 52.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.329 -0.851 . . . . 1.18 110.885 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.439 ' HB2' ' OG1' ' A' 2107 ' ' THR . 2.6 mp -106.23 138.56 19.73 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.836 -0.62 . . . . 3.41 110.907 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.513 ' O ' ' HB2' ' A' 2118 ' ' LEU . 19.3 Cg_endo -65.56 145.77 82.96 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.043 2.495 . . . . 1.36 111.552 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.23 -13.77 25.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.038 2.492 . . . . 0.94 112.672 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.7 p -100.51 5.73 44.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.458 -0.337 . . . . 1.42 111.399 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.7 tm? -36.19 -67.09 0.18 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 1.38 113.114 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' 2099 ' ' ALA . 30.3 mm -74.73 -17.94 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 1.12 110.493 -177.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.661 ' CD1' ' H2A' ' A' 2201 ' ' 66S . 33.3 m-85 -74.86 -41.64 59.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.635 -0.711 . . . . 4.38 110.336 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.66 -46.54 15.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 2.0 111.604 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.17 65.84 58.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 C-N-CA 120.798 -0.361 . . . . 0.87 111.494 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.454 ' C ' ' HG1' ' A' 2124 ' ' THR . 58.9 Cg_endo -80.59 104.96 1.65 Allowed 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-N 120.398 1.178 . . . . 0.48 110.958 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.454 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.02 146.27 0.66 Allowed Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 114.779 -1.101 . . . . 1.12 108.816 173.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.411 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 33.2 Cg_exo -62.29 -57.06 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 121.838 1.692 . . . . 0.29 112.545 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.587 ' O ' ' HB ' ' A' 2129 ' ' THR . 83.1 t60 -71.34 -36.07 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.332 . . . . 0.92 111.514 -175.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.11 94.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.595 -0.275 . . . . 1.1 111.343 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.27 -39.06 78.22 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.6 0.238 . . . . 1.32 110.612 173.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.587 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -53.58 -47.22 70.31 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.824 -0.625 . . . . 1.1 110.596 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.712 -0.676 . . . . 2.45 111.486 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' 2135 ' ' ARG . 45.7 t60 -59.47 -56.85 16.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.924 0.393 . . . . 0.71 110.407 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.24 -30.61 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 1.27 110.978 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.28 -42.99 99.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.79 110.151 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 23.9 m -70.17 -35.09 73.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.301 -0.409 . . . . 1.38 110.486 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.2 mmp_? -59.02 -58.0 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.184 -0.462 . . . . 3.81 111.895 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.435 ' CD1' ' HE1' ' A' 2049 ' ' MET . 4.1 mm? -66.11 -31.27 72.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.436 0.532 . . . . 2.85 112.436 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2137 ' ' THR . . . . . 0.453 HG21 HD13 ' A' 2054 ' ' LEU . 39.9 p -75.94 -31.55 59.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.219 0.533 . . . . 1.65 110.061 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -75.3 -28.3 59.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.367 -0.833 . . . . 3.15 110.608 172.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 21.6 p 53.46 -160.88 0.13 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.851 -1.068 . . . . 3.76 111.686 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 32.8 m170 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.341 -0.838 . . . . 7.57 111.121 -178.711 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.661 ' H2A' ' CD1' ' A' 2120 ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 112.076 -0.41 . . . . 6.87 112.076 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.41 ' N ' ' HA2' ' A' 2053 ' ' GLY . 36.0 p -158.67 145.61 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.381 0.61 . . . . 4.62 110.752 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -83.35 21.06 1.2 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.172 -0.922 . . . . 7.56 110.97 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.585 ' CE ' HD23 ' A' 2136 ' ' LEU . 17.4 mmt -68.75 -71.61 0.21 Allowed 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 114.254 1.205 . . . . 3.75 114.254 -166.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -95.93 -65.47 0.97 Allowed 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 117.602 -1.639 . . . . 10.18 109.075 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.631 HD21 ' N ' ' A' 2052 ' ' ASN . 0.0 OUTLIER -136.92 -57.05 0.73 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.91 0.386 . . . . 6.93 110.405 147.231 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.631 ' N ' HD21 ' A' 2051 ' ' LEU . 9.6 p30 -100.57 119.0 37.88 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.912 0.708 . . . . 5.24 112.912 178.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2053 ' ' GLY . . . . . 0.41 ' HA2' ' N ' ' A' 2047 ' ' SER . . . 36.22 62.34 0.75 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 116.921 1.528 . . . . 3.97 116.921 149.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 53.7 mt -57.88 145.25 36.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 118.71 1.255 . . . . 3.72 110.589 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 28.4 p -75.85 155.8 84.75 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 109.513 -0.551 . . . . 2.3 109.513 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -41.04 -50.66 4.11 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.329 2.686 . . . . 1.99 113.684 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' 2061 ' ' GLN . 14.0 tt0 -64.82 -48.1 75.62 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 112.077 0.399 . . . . 2.69 112.077 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -60.91 -36.99 80.71 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.639 0.257 . . . . 2.63 110.653 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.585 ' O ' HD11 ' A' 2063 ' ' LEU . 77.1 mt-30 -55.69 -58.9 5.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.653 . . . . 2.83 110.549 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -47.67 -38.21 14.51 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.485 0.55 . . . . 1.39 112.485 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' 2057 ' ' GLN . 65.5 mm-40 -64.65 -57.33 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.25 0.547 . . . . 2.4 110.43 178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 33.9 m -55.31 -53.85 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.242 -0.89 . . . . 1.48 111.256 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.585 HD11 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -57.76 -41.6 82.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.239 0.615 . . . . 1.61 112.052 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.65 71.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.161 0.505 . . . . 1.1 110.909 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 14.0 m -87.61 -33.97 18.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.665 . . . . 1.14 109.741 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.75 -63.75 1.14 Allowed 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.421 -0.809 . . . . 1.1 110.793 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' 2063 ' ' LEU . 5.9 p -54.76 -39.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.072 -0.513 . . . . 1.38 111.215 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.483 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -60.55 -52.08 66.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 1.06 110.943 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.18 -27.45 64.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.986 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' 2074 ' ' VAL . . . -65.65 -55.36 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.86 -0.609 . . . . 1.07 110.6 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' 2083 ' ' ILE . 7.3 t -65.74 -27.42 68.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.444 0.64 . . . . 1.04 110.242 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' 2078 ' ' HIS . . . -75.57 -19.64 59.15 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.028 -0.987 . . . . 1.17 110.733 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.7 m -83.08 -40.08 20.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.205 -0.452 . . . . 1.31 110.706 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.41 -40.33 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 1.48 110.01 -177.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 59.0 mt -85.78 165.84 16.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.678 -0.692 . . . . 1.58 111.024 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -85.84 42.92 3.19 Favored Glycine 0 N--CA 1.453 -0.226 0 CA-C-N 116.025 -0.534 . . . . 1.92 112.902 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 27.6 p80 -158.78 120.3 3.43 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.873 -1.158 . . . . 2.09 107.873 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.414 ' HA ' ' HB3' ' A' 2072 ' ' ALA . 47.3 t-80 -126.23 68.92 1.21 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.088 0.947 . . . . 6.84 111.993 -174.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' 2081 ' ' GLU . 10.6 m -122.15 95.51 47.25 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 114.529 -1.214 . . . . 1.9 108.209 166.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.29 -19.17 66.11 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.175 2.584 . . . . 0.74 111.988 -173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2081 ' ' GLU . . . . . 0.418 ' HB3' HG23 ' A' 2079 ' ' THR . 31.7 tt0 -63.33 -27.97 69.68 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 115.272 -0.876 . . . . 2.96 111.084 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 29.1 t -94.64 -0.53 54.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.838 -0.619 . . . . 2.08 111.137 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.483 HG21 ' HA ' ' A' 2068 ' ' ALA . 6.2 mm -78.91 100.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 110.082 -0.34 . . . . 1.24 110.082 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -78.78 123.89 85.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.179 0.514 . . . . 1.07 110.837 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 44.0 Cg_endo -63.86 -33.57 63.83 Favored 'Trans proline' 0 N--CA 1.472 0.209 0 C-N-CA 123.629 2.886 . . . . 0.43 113.533 -176.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.0 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.389 -0.369 . . . . 1.21 111.824 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.2 m -78.22 152.49 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.238 0.542 . . . . 1.06 110.707 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -91.31 141.69 28.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.543 -0.753 . . . . 1.11 109.528 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.434 ' O ' ' HB ' ' A' 2094 ' ' ILE . 13.1 m-85 -55.24 -28.57 54.21 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.136 0.272 . . . . 0.74 111.504 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -57.87 -33.87 69.16 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.37 0.605 . . . . 3.31 110.844 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -90.23 -29.13 18.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.219 -0.9 . . . . 1.88 111.192 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -22.26 66.8 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.079 -0.248 . . . . 1.33 111.502 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.92 -1.48 8.47 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.293 -0.956 . . . . 0.29 111.793 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' 2089 ' ' PHE . 33.2 mm -70.88 126.7 31.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.966 0.412 . . . . 1.09 111.577 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -107.78 -170.25 1.66 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.78 -1.193 . . . . 1.07 107.78 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.481 ' HB3' ' H2 ' ' A' 2201 ' ' 66S . 0.1 OUTLIER -73.73 -21.83 60.09 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.447 -1.301 . . . . 0.91 109.451 175.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 2100 ' ' LEU . 28.2 mt -64.52 -55.36 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.866 -1.061 . . . . 2.18 110.111 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.61 -12.32 58.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.356 -0.838 . . . . 1.08 112.05 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.84 -42.86 99.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 1.04 110.541 175.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -71.69 -38.48 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 1.14 110.33 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.543 ' N ' HD13 ' A' 2100 ' ' LEU . 6.2 mm-40 -59.14 -39.47 82.48 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.111 0.482 . . . . 0.72 110.688 176.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.6 OUTLIER -62.26 -49.86 74.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.095 -0.502 . . . . 1.34 110.404 176.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' 2099 ' ' ALA . 15.7 mtm180 -55.75 -43.4 76.61 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.226 0.536 . . . . 3.14 109.621 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' 2101 ' ' GLU . 96.0 m-20 -54.59 -42.33 70.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.966 -1.015 . . . . 0.48 111.355 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.6 m -75.56 -43.32 49.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.316 -0.402 . . . . 1.27 111.12 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' 2102 ' ' LEU . 81.0 mt -59.52 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.452 . . . . 1.73 110.837 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.616 HG22 ' O ' ' A' 2112 ' ' LEU . 12.4 m -66.18 -39.62 89.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.68 -0.691 . . . . 1.34 110.69 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -60.92 -29.19 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.832 -0.622 . . . . 3.58 111.095 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -85.11 -41.9 15.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.113 0.482 . . . . 3.21 111.097 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.438 ' HB ' HD11 ' A' 2112 ' ' LEU . 67.6 p -89.51 -31.23 17.74 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.838 0.681 . . . . 1.52 112.838 -169.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.09 0.66 89.19 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.324 -0.71 . . . . 1.05 111.324 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' 2107 ' ' THR . 23.1 mt -87.74 120.46 29.08 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.815 0.446 . . . . 1.99 110.959 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -54.01 142.23 25.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.638 -0.71 . . . . 1.18 110.538 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.514 ' C ' HD21 ' A' 2114 ' ' LEU . 0.0 OUTLIER -131.15 156.69 79.78 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.209 0.448 . . . . 3.41 112.209 -172.366 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' 2118 ' ' LEU . 40.6 Cg_endo -94.36 149.73 1.96 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.374 3.383 . . . . 1.36 112.433 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.06 -7.89 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.721 2.28 . . . . 0.94 112.167 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2117 ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' 2120 ' ' PHE . 3.7 p -100.9 4.42 42.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.433 -0.803 . . . . 1.42 110.583 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.8 -66.53 0.36 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.522 -0.763 . . . . 1.38 112.144 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.28 -21.27 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.45 0.643 . . . . 1.12 110.189 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' 2117 ' ' THR . 9.3 t80 -60.52 -50.0 75.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.294 -0.866 . . . . 4.38 110.2 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.33 -45.0 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 2.0 112.077 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -125.93 68.43 63.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 C-N-CA 120.527 -0.469 . . . . 0.87 111.901 -171.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.404 ' C ' ' HG1' ' A' 2124 ' ' THR . 56.6 Cg_endo -81.61 103.87 1.41 Allowed 'Trans proline' 0 N--CA 1.442 -1.55 0 CA-C-N 120.604 1.251 . . . . 0.48 110.201 173.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.404 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -178.17 142.63 0.45 Allowed Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.991 -1.004 . . . . 1.12 108.949 176.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.42 ' O ' HG13 ' A' 2067 ' ' VAL . 34.9 Cg_exo -61.38 -56.43 0.86 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 121.683 1.588 . . . . 0.29 111.664 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2126 ' ' HIS . . . . . . . . . . . . . 78.0 t60 -61.39 -41.92 97.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.92 112.218 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.4 75.99 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.825 0.306 . . . . 1.1 111.825 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.74 -33.79 76.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.766 -0.374 . . . . 1.32 110.85 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.403 HG23 ' CB ' ' A' 2063 ' ' LEU . 66.0 m -54.62 -44.26 72.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.201 0.524 . . . . 1.1 109.757 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -66.82 -45.01 79.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.961 -1.018 . . . . 2.45 110.382 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.7 t60 -61.26 -51.22 69.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.71 110.858 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.19 -28.28 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.829 -0.348 . . . . 1.27 110.617 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -67.9 -31.35 71.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.116 0.484 . . . . 0.79 110.628 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' 2138 ' ' GLN . 23.8 m -69.57 -24.29 63.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 1.38 110.446 178.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.5 ' HB3' HD22 ' A' 2112 ' ' LEU . 10.8 mmm180 -65.93 -31.64 72.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.064 -0.516 . . . . 3.81 111.692 -174.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.585 HD23 ' CE ' ' A' 2049 ' ' MET . 0.8 OUTLIER -89.95 -44.04 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.617 0.722 . . . . 2.85 109.345 -178.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 20.0 p -71.22 -11.96 61.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.586 -1.188 . . . . 1.65 111.633 -171.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' 2134 ' ' THR . 7.7 mt-30 -72.06 -11.86 60.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.021 -0.536 . . . . 3.15 111.301 174.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 14.9 m 68.7 -174.3 0.19 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.657 0.598 . . . . 3.76 110.8 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 69.1 m-70 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.493 -0.765 . . . . 7.57 110.155 177.271 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.481 ' H2 ' ' HB3' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 N-CA-C 111.872 -0.491 . . . . 6.87 111.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' 2049 ' ' MET . 22.0 m -101.49 11.51 38.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 121.174 -0.21 . . . . 4.62 111.206 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 13.6 m170 -79.52 23.69 0.39 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.848 0.356 . . . . 7.56 110.622 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' 2047 ' ' SER . 10.0 ptt? -34.33 -51.7 0.46 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.11 1.364 . . . . 3.75 114.482 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -107.87 -10.85 15.47 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.488 -0.323 . . . . 10.18 111.524 -174.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -120.71 23.87 10.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.989 0.423 . . . . 6.93 111.056 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.6 p30 -59.44 128.97 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 5.24 110.68 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.79 -26.78 12.05 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.969 -0.634 . . . . 3.97 112.589 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.7 142.81 32.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.347 0.594 . . . . 3.72 112.028 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.477 ' O ' ' HG3' ' A' 2059 ' ' GLN . 7.3 p -81.99 158.09 67.9 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.067 -0.97 . . . . 2.3 109.064 170.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -38.58 -54.18 1.62 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.79 2.993 . . . . 1.99 114.454 -176.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.98 -41.77 99.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.887 0.328 . . . . 2.69 111.887 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -69.86 -28.74 65.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.228 0.537 . . . . 2.63 110.521 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.585 ' O ' HD12 ' A' 2063 ' ' LEU . 48.5 mt-30 -64.76 -49.13 71.96 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.434 -0.58 . . . . 2.83 109.434 173.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.07 -48.42 70.63 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.503 0.557 . . . . 1.39 112.503 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -61.7 -36.78 81.9 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.007 -0.677 . . . . 2.4 110.547 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 97.2 m -59.29 -60.35 4.0 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 1.48 110.732 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' 2059 ' ' GLN . 7.4 mp -57.69 -34.6 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 1.61 112.243 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.37 65.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 1.1 110.797 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 25.9 m -85.28 -35.67 21.36 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.014 -0.736 . . . . 1.14 109.014 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.437 HD23 ' ND2' ' A' 2109 ' ' ASN . 16.8 tp -56.95 -61.74 2.23 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.065 -0.971 . . . . 1.1 110.671 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -56.24 -39.51 60.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.146 -0.479 . . . . 1.38 111.561 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.27 -55.34 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 1.06 110.447 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.58 68.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.368 . . . . 1.0 110.609 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.69 -51.75 63.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.032 -0.531 . . . . 1.07 110.591 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.518 ' CG2' HD12 ' A' 2083 ' ' ILE . 4.1 t -74.73 -22.36 58.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.405 0.621 . . . . 1.04 110.167 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.492 ' HB2' ' HA ' ' A' 2078 ' ' HIS . . . -72.61 -20.03 61.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.261 -0.881 . . . . 1.17 110.396 173.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.1 m -84.43 -31.11 24.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 1.31 110.542 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -78.26 -45.01 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.05 0.452 . . . . 1.48 109.83 -179.066 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.6 mt -91.8 133.01 36.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.818 -0.628 . . . . 1.58 110.576 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -63.92 -19.9 63.85 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 115.345 0.898 . . . . 1.92 115.345 -170.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 22.1 p80 -58.47 -35.64 72.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 117.941 0.871 . . . . 2.09 110.466 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.492 ' HA ' ' HB2' ' A' 2072 ' ' ALA . 25.1 t-80 37.89 79.62 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.953 1.094 . . . . 6.84 113.953 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 34.8 m -152.5 99.93 2.8 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.441 -0.8 . . . . 1.9 109.0 169.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.433 ' HA ' HD13 ' A' 2083 ' ' ILE . 18.8 Cg_exo -67.01 -19.21 51.97 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.511 2.141 . . . . 0.74 111.436 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.39 -50.25 31.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.981 -1.008 . . . . 2.96 112.472 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.4 t -99.33 13.65 32.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 2.08 111.627 -171.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.518 HD12 ' CG2' ' A' 2071 ' ' THR . 25.5 mt -86.28 93.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 1.24 110.07 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 41.1 m -72.26 133.91 83.05 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.653 -0.703 . . . . 1.07 111.054 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.495 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 52.8 Cg_endo -66.91 -32.05 36.75 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 123.609 2.872 . . . . 0.43 113.782 -172.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.34 -3.13 58.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.1 0.408 . . . . 1.21 112.1 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.8 m -84.91 151.63 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.156 0.503 . . . . 1.06 110.216 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -88.32 139.49 30.44 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.414 -0.812 . . . . 1.11 109.75 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.417 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 17.0 m-85 -58.15 -23.67 56.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.612 -0.267 . . . . 0.74 111.094 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -47.01 -61.21 1.98 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.87 0.843 . . . . 3.31 110.154 167.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.34 -29.86 69.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.127 -1.397 . . . . 1.88 111.588 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -22.78 62.89 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.808 -0.357 . . . . 1.33 111.903 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.13 11.76 8.05 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.108 -1.044 . . . . 0.29 113.007 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.482 HD11 ' OG1' ' A' 2071 ' ' THR . 26.9 mm -80.44 128.89 38.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.479 . . . . 1.09 111.976 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -110.99 -165.87 1.03 Allowed 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.528 -0.916 . . . . 1.07 108.528 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.11 -39.95 75.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.46 0.647 . . . . 0.91 110.119 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.572 HD21 ' H31' ' A' 2201 ' ' 66S . 37.6 tp -55.97 -53.82 52.26 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.523 -1.217 . . . . 2.18 111.357 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.3 p -81.79 -13.58 57.52 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.958 -0.565 . . . . 1.08 112.159 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.516 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.18 -45.72 90.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 1.04 109.897 174.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -71.26 -36.23 71.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 1.14 110.621 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.481 ' N ' HD11 ' A' 2100 ' ' LEU . 9.1 mm-40 -60.41 -42.68 96.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.013 0.435 . . . . 0.72 111.367 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.418 HD22 HD12 ' A' 2106 ' ' LEU . 1.0 OUTLIER -60.14 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.608 -0.516 . . . . 1.34 109.608 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -54.61 -40.63 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.538 -0.755 . . . . 3.14 111.08 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -53.54 -50.07 66.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.48 110.859 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.5 m -66.44 -42.04 88.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 1.27 110.934 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.444 HD12 HD13 ' A' 2128 ' ' LEU . 93.1 mt -63.14 -45.92 89.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.049 -0.523 . . . . 1.73 110.836 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.441 HG21 ' O ' ' A' 2112 ' ' LEU . 99.7 m -61.38 -48.67 80.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.267 -0.879 . . . . 1.34 110.808 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -68.24 -27.6 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 3.58 111.129 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.437 ' ND2' HD23 ' A' 2066 ' ' LEU . 6.2 t30 -72.65 -40.83 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 3.21 110.923 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.6 p -85.38 -41.38 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.308 -0.406 . . . . 1.52 111.666 -175.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.46 -20.12 37.99 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.669 -0.777 . . . . 1.05 112.823 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.441 ' O ' HG21 ' A' 2107 ' ' THR . 2.3 pp -86.27 -175.87 5.68 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.754 0.311 . . . . 1.99 110.499 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -106.06 138.69 41.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.182 -0.463 . . . . 1.18 110.845 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 91.9 mt -121.38 139.61 29.96 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.615 -0.72 . . . . 3.41 110.105 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.493 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.7 Cg_endo -63.24 147.17 94.11 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.875 2.383 . . . . 1.36 111.75 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -62.15 -8.77 12.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.057 2.505 . . . . 0.94 112.358 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 5.6 p -100.95 3.38 41.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 1.42 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.6 tm? -36.71 -65.65 0.27 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.047 0.939 . . . . 1.38 112.709 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' 2099 ' ' ALA . 33.4 mm -76.56 -21.4 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.255 0.55 . . . . 1.12 110.741 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.403 ' CD1' ' H3A' ' A' 2201 ' ' 66S . 18.1 m-85 -69.66 -35.59 75.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.595 . . . . 4.38 110.195 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.45 -43.48 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 2.0 112.128 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -125.45 64.73 48.77 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-O 119.228 -0.415 . . . . 0.87 111.676 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -81.88 104.63 1.44 Allowed 'Trans proline' 0 N--CA 1.444 -1.417 0 CA-C-N 120.623 1.258 . . . . 0.48 110.953 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.7 138.39 0.4 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 114.797 -1.092 . . . . 1.12 108.501 171.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.495 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.7 Cg_exo -56.36 -57.24 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 121.835 1.69 . . . . 0.29 112.104 -175.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.616 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.0 t60 -67.55 -34.07 76.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.92 111.54 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.11 85.46 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.758 0.313 . . . . 1.1 110.957 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.444 HD13 HD12 ' A' 2106 ' ' LEU . 47.5 mt -60.06 -37.2 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 1.32 110.3 172.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -54.4 -44.25 72.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.01 -0.541 . . . . 1.1 110.409 174.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' 2126 ' ' HIS . 19.8 mt-30 -67.06 -47.41 71.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 2.45 109.815 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -58.61 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.936 -0.575 . . . . 0.71 110.907 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.4 -28.63 69.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.037 -0.529 . . . . 1.27 111.252 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.84 -31.09 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.576 -0.45 . . . . 0.79 109.987 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 65.8 m -70.31 -41.03 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 1.38 109.95 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.405 ' HD2' ' OE1' ' A' 2138 ' ' GLN . 10.7 mmm180 -57.72 -46.18 84.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.97 0.891 . . . . 3.81 109.231 172.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' A' 2047 ' ' SER . 12.7 tp -66.45 -21.17 66.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.958 -1.474 . . . . 2.85 112.798 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 18.0 p -110.48 -4.03 15.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.949 0.404 . . . . 1.65 111.567 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.405 ' OE1' ' HD2' ' A' 2135 ' ' ARG . 5.8 mt-30 -54.34 -46.78 72.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.407 -0.815 . . . . 3.15 111.951 -176.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 19.8 m -101.22 127.15 47.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.971 -0.381 . . . . 3.76 109.971 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.8 p80 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.478 -0.772 . . . . 7.57 110.557 179.337 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.572 ' H31' HD21 ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.559 0 N-CA-C 111.816 -0.514 . . . . 6.87 111.816 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.407 ' CB ' ' HG ' ' A' 2136 ' ' LEU . 89.0 p -156.85 171.07 21.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.978 -0.378 . . . . 4.62 109.978 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 15.9 p80 -96.39 20.67 10.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.558 -0.534 . . . . 7.56 109.558 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 22.1 mmt -100.93 -0.39 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.373 0.879 . . . . 3.75 113.373 -167.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -55.11 4.13 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.223 -1.391 . . . . 10.18 112.123 -166.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 94.1 mt -124.77 -50.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.931 0.715 . . . . 6.93 112.931 -172.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -79.03 124.72 28.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.004 0.742 . . . . 5.24 113.004 -165.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 82.98 -35.17 2.75 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 114.878 -1.055 . . . . 3.97 114.518 168.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' 2055 ' ' SER . 0.1 OUTLIER -103.58 121.65 43.34 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 117.772 0.786 . . . . 3.72 111.891 177.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.544 ' O ' HD12 ' A' 2054 ' ' LEU . 16.3 t -94.6 144.22 27.55 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 106.923 -1.51 . . . . 2.3 106.923 167.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -37.0 -45.82 1.33 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.945 3.097 . . . . 1.99 115.319 -168.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -67.14 -29.36 69.06 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.01 0.374 . . . . 2.69 112.01 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -59.58 -51.76 68.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.001 0.371 . . . . 2.63 112.001 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.564 ' O ' HD11 ' A' 2063 ' ' LEU . 6.5 mm100 -73.11 -34.39 66.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.084 -0.646 . . . . 2.83 111.452 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -57.47 -43.92 84.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.663 -0.415 . . . . 1.39 111.994 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.38 -39.29 88.98 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.276 -0.57 . . . . 2.4 110.441 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.1 m -57.89 -59.8 4.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 1.48 110.881 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.573 ' O ' HG13 ' A' 2067 ' ' VAL . 6.6 mp -59.34 -37.73 78.57 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.232 0.613 . . . . 1.61 112.376 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.14 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.123 0.487 . . . . 1.1 110.735 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.2 m -86.39 -35.43 19.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 1.14 109.357 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.88 -62.93 1.5 Allowed 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.303 -0.862 . . . . 1.1 111.034 176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' 2063 ' ' LEU . 7.6 p -53.43 -41.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 123.289 0.368 . . . . 1.38 111.525 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' 2071 ' ' THR . . . -61.44 -55.07 35.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.406 . . . . 1.06 110.997 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.34 -36.48 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 1.0 110.477 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.699 ' O ' HG11 ' A' 2074 ' ' VAL . . . -58.17 -56.91 15.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.511 -0.768 . . . . 1.07 110.157 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.467 ' HB ' HD12 ' A' 2102 ' ' LEU . 8.7 t -65.08 -34.82 79.33 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.188 0.518 . . . . 1.04 110.821 -174.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.512 ' HB1' HD11 ' A' 2083 ' ' ILE . . . -73.32 -20.12 60.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.038 -0.528 . . . . 1.17 111.053 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 85.5 m -86.48 -40.45 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.246 0.341 . . . . 1.31 111.619 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -64.06 -34.88 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.59 0.71 . . . . 1.48 109.23 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.52 ' HB2' ' CE1' ' A' 2077 ' ' HIS . 51.6 mt -90.72 -29.37 17.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.974 -1.012 . . . . 1.58 111.326 174.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 54.9 78.11 0.13 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 121.47 -0.395 . . . . 1.92 112.164 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2077 ' ' HIS . . . . . 0.545 ' CE1' ' HD2' ' A' 2078 ' ' HIS . 0.0 OUTLIER -172.9 5.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 114.032 1.123 . . . . 2.09 114.032 -169.091 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.545 ' HD2' ' CE1' ' A' 2077 ' ' HIS . 37.2 m-70 -155.39 157.28 36.81 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.053 0.76 . . . . 6.84 113.053 -174.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 45.2 m -80.13 119.98 78.23 Favored Pre-proline 0 N--CA 1.447 -0.595 0 CA-C-N 114.605 -1.179 . . . . 1.9 108.548 164.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 37.2 Cg_exo -59.08 -23.43 68.85 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.815 2.343 . . . . 0.74 112.851 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.32 -28.6 68.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.245 0.545 . . . . 2.96 110.364 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 46.9 t -81.18 -16.47 52.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.376 -0.829 . . . . 2.08 110.991 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.512 HD11 ' HB1' ' A' 2072 ' ' ALA . 22.0 mt -68.91 118.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.391 -0.822 . . . . 1.24 111.181 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.5 m -81.78 131.25 58.0 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.716 -0.675 . . . . 1.07 110.875 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.528 ' O ' ' HD2' ' A' 2125 ' ' PRO . 50.6 Cg_endo -64.77 -27.3 59.89 Favored 'Trans proline' 0 N--CA 1.472 0.226 0 C-N-CA 123.74 2.96 . . . . 0.43 113.647 -175.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.68 7.39 39.68 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.917 0.71 . . . . 1.21 112.917 -177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.7 m -95.02 150.2 20.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.504 0.668 . . . . 1.06 111.573 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.17 135.25 34.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.125 -0.943 . . . . 1.11 109.683 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.471 ' HB3' HG13 ' A' 2094 ' ' ILE . 24.7 m-85 -53.07 -29.99 33.49 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.218 0.821 . . . . 0.74 113.218 -177.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2090 ' ' LYS . . . . . 0.574 ' HD2' ' H ' ' A' 2090 ' ' LYS . 0.0 OUTLIER -56.44 -44.26 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.603 . . . . 3.31 109.682 175.012 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.23 -36.35 83.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.834 -1.076 . . . . 1.88 111.04 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -20.5 61.68 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.623 -0.262 . . . . 1.33 111.427 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.89 2.31 9.43 Favored Glycine 0 N--CA 1.454 -0.167 0 C-N-CA 120.48 -0.866 . . . . 0.29 112.482 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.471 HG13 ' HB3' ' A' 2089 ' ' PHE . 30.9 mm -68.23 131.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.898 0.38 . . . . 1.09 111.706 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -113.36 -161.62 0.77 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.897 -0.592 . . . . 1.07 109.569 174.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 15.6 p -64.03 -51.26 65.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.627 0.727 . . . . 0.91 111.187 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.94 HD22 H30A ' A' 2201 ' ' 66S . 44.6 mt -67.67 -53.97 23.4 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.575 -1.193 . . . . 2.18 111.003 -175.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -65.93 -16.25 63.7 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.613 -0.721 . . . . 1.08 112.329 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.431 ' HB3' ' HB ' ' A' 2119 ' ' ILE . . . -65.17 -47.96 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.78 -0.452 . . . . 1.04 109.78 171.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.793 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.3 pp -68.29 -38.01 81.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.381 -0.528 . . . . 1.14 109.674 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.533 ' N ' HD13 ' A' 2100 ' ' LEU . 6.1 mm-40 -59.05 -45.25 91.24 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.873 0.368 . . . . 0.72 111.55 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.467 HD12 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -57.53 -55.44 34.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.59 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.51 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 40.8 ptt85 -63.34 -33.17 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.728 -0.389 . . . . 3.14 110.045 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -52.98 -48.06 67.72 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.347 0.594 . . . . 0.48 109.986 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2105 ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' 2109 ' ' ASN . 17.8 m -63.92 -54.02 41.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.996 -1.002 . . . . 1.27 111.307 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 2.2 pp -70.79 -24.23 62.54 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.874 -0.331 . . . . 1.73 111.872 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.9 m -69.78 -53.44 18.31 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.293 0.568 . . . . 1.34 110.404 173.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.71 -24.79 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 3.58 110.942 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.3 t-20 -67.84 -35.33 78.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 3.21 111.096 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.7 p -98.1 -33.67 11.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.07 0.396 . . . . 1.52 112.07 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.71 14.58 21.07 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.757 -0.735 . . . . 1.05 111.896 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.49 ' CD2' HD13 ' A' 2136 ' ' LEU . 86.4 mt -81.19 -178.42 6.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.62 0.724 . . . . 1.99 112.671 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -130.87 115.42 16.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.282 -1.326 . . . . 1.18 108.338 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' 2118 ' ' LEU . 2.1 mp -123.23 155.17 65.21 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-O 121.183 0.516 . . . . 3.41 112.246 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' 2118 ' ' LEU . 68.2 Cg_endo -77.15 152.17 30.89 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.404 2.736 . . . . 1.36 112.385 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.51 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 55.5 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.95 2.433 . . . . 0.94 112.106 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 3.47 42.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 1.42 110.588 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' 2114 ' ' LEU . 2.0 tm? -37.65 -62.21 0.55 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.807 -1.088 . . . . 1.38 112.661 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' A' 2099 ' ' ALA . 41.7 mm -73.31 -25.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 1.12 110.912 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.02 -50.58 61.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.994 -0.548 . . . . 4.38 110.531 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.89 -38.9 64.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.63 -0.714 . . . . 2.0 112.616 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -129.8 64.97 73.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.218 -0.593 . . . . 0.87 111.344 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.483 ' C ' ' HG1' ' A' 2124 ' ' THR . 66.8 Cg_endo -81.96 103.88 1.36 Allowed 'Trans proline' 0 N--CA 1.445 -1.376 0 CA-C-N 120.349 1.16 . . . . 0.48 111.371 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.483 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -178.95 144.09 0.43 Allowed Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 124.373 1.069 . . . . 1.12 108.286 170.793 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.528 ' HD2' ' O ' ' A' 2085 ' ' PRO . 37.9 Cg_exo -57.76 -54.97 2.7 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 121.57 1.513 . . . . 0.29 112.004 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.508 ' O ' ' HB ' ' A' 2129 ' ' THR . 84.9 t60 -68.43 -34.97 76.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.463 -0.335 . . . . 0.92 111.581 -176.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.95 92.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.756 0.312 . . . . 1.1 110.894 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.53 -35.26 79.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.439 -0.346 . . . . 1.32 110.523 175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' 2126 ' ' HIS . 86.5 m -51.28 -52.16 47.63 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.348 0.594 . . . . 1.1 110.97 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -44.09 79.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.154 -0.93 . . . . 2.45 110.594 -177.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.752 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.7 t60 -59.04 -57.65 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.71 110.147 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.46 -33.48 72.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 1.27 111.423 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -64.02 -57.54 9.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.839 -0.43 . . . . 0.79 109.839 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' 2138 ' ' GLN . 2.8 m -64.27 -22.87 67.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 1.38 111.866 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.752 ' HG2' ' O ' ' A' 2131 ' ' HIS . 6.0 mmp_? -58.22 -50.79 72.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.056 0.455 . . . . 3.81 111.008 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.49 HD13 ' CD2' ' A' 2112 ' ' LEU . 6.5 tp -95.73 -31.13 13.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.872 -0.603 . . . . 2.85 111.365 -172.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 65.9 p -73.13 -46.6 50.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.252 0.549 . . . . 1.65 110.002 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.0 OUTLIER -75.76 -21.02 57.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.373 -0.831 . . . . 3.15 109.736 176.006 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 36.9 m 67.95 177.87 0.24 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.997 -1.002 . . . . 3.76 111.977 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 47.8 m80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.793 -0.622 . . . . 7.57 110.675 -179.193 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.94 H30A HD22 ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.94 -0.464 . . . . 6.87 111.94 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 8.1 m -95.42 3.19 54.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.075 0.464 . . . . 4.62 110.897 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.556 ' C ' ' H ' ' A' 2050 ' ' ARG . 51.8 m170 -91.91 23.11 3.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.091 0.948 . . . . 7.56 109.72 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.463 ' HE1' HD23 ' A' 2136 ' ' LEU . 11.8 ptt? -65.97 20.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.949 -1.478 . . . . 3.75 111.82 171.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.556 ' H ' ' C ' ' A' 2048 ' ' HIS . 19.9 mtm180 -86.93 -51.56 5.97 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.129 0.49 . . . . 10.18 110.938 -174.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 77.6 mt -115.14 -24.64 8.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.581 -0.736 . . . . 6.93 111.412 -174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' 2054 ' ' LEU . 43.5 t30 -77.5 115.35 17.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.814 -0.355 . . . . 5.24 110.71 -175.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 68.04 -32.48 0.24 Allowed Glycine 0 CA--C 1.524 0.596 0 CA-C-N 115.37 -0.832 . . . . 3.97 114.365 177.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' 2052 ' ' ASN . 0.5 OUTLIER -100.93 141.82 33.29 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.791 0.805 . . . . 3.72 113.028 -174.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.562 ' O ' ' HG3' ' A' 2059 ' ' GLN . 62.1 p -97.92 167.66 11.31 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 114.386 -1.279 . . . . 2.3 108.037 166.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.591 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 77.9 Cg_exo -42.05 -44.98 7.34 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.542 2.161 . . . . 1.99 112.895 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2057 ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' 2061 ' ' GLN . 98.4 mt-30 -66.93 -50.44 62.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.188 -0.46 . . . . 2.69 111.275 177.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.561 ' HB2' ' H ' ' A' 2055 ' ' SER . 46.0 mt-30 -56.99 -35.26 68.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.399 -0.364 . . . . 2.63 111.671 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.623 ' O ' HD11 ' A' 2063 ' ' LEU . 47.1 mt-30 -55.8 -59.89 4.23 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.594 -0.521 . . . . 2.83 109.594 174.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.72 -38.2 66.8 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.063 -0.517 . . . . 1.39 112.053 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' 2057 ' ' GLN . 12.9 mm100 -59.56 -55.3 36.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 2.4 110.085 176.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.3 m -50.7 -58.96 4.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.092 -0.958 . . . . 1.48 111.249 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.623 HD11 ' O ' ' A' 2059 ' ' GLN . 3.9 mp -54.73 -42.51 71.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.601 -0.727 . . . . 1.61 112.07 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.16 69.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.825 0.345 . . . . 1.1 111.083 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.5 m -80.01 -35.86 36.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.167 -0.679 . . . . 1.14 109.167 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.35 -63.22 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.828 -1.078 . . . . 1.1 110.918 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.536 HG11 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.17 -39.06 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 1.38 111.189 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.54 ' HB3' HG13 ' A' 2083 ' ' ILE . . . -60.16 -53.24 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.03 -0.532 . . . . 1.06 111.078 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.477 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -64.61 -35.97 82.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.825 0.345 . . . . 1.0 110.478 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.67 ' O ' HG13 ' A' 2074 ' ' VAL . . . -59.98 -62.23 2.02 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.656 -0.702 . . . . 1.07 110.012 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2071 ' ' THR . . . . . . . . . . . . . 6.3 t -61.25 -32.54 72.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.2 -0.455 . . . . 1.04 111.416 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.406 ' HB2' HD12 ' A' 2083 ' ' ILE . . . -71.83 -26.61 62.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.183 -0.462 . . . . 1.17 111.213 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.8 m -88.34 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.114 0.259 . . . . 1.31 111.577 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.3 -37.85 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.633 0.73 . . . . 1.48 109.092 178.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.14 -33.77 15.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.893 -1.048 . . . . 1.58 111.208 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 60.14 80.86 0.09 OUTLIER Glycine 0 C--N 1.331 0.256 0 N-CA-C 111.46 -0.656 . . . . 1.92 111.46 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.95 0.18 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.638 0.977 . . . . 2.09 113.638 -168.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 48.9 t60 -157.57 145.82 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.879 -0.728 . . . . 6.84 111.845 -169.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 48.9 m -71.9 120.27 79.15 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.519 -0.764 . . . . 1.9 109.938 173.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.477 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 50.4 Cg_exo -56.66 -32.97 92.39 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.363 2.709 . . . . 0.74 112.615 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.18 -27.68 69.53 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.547 -0.751 . . . . 2.96 111.173 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.6 t -105.2 17.55 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 2.08 111.181 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.54 HG13 ' HB3' ' A' 2068 ' ' ALA . 3.9 mm -72.67 118.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.46 -0.571 . . . . 1.24 109.46 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.2 m -81.63 122.93 80.99 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.995 0.426 . . . . 1.07 110.808 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 55.3 Cg_endo -65.17 -31.04 54.87 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.897 3.065 . . . . 0.43 113.647 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.1 -15.06 59.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.288 0.477 . . . . 1.21 112.288 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.1 m -83.45 148.45 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 1.06 110.846 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.438 ' O ' HD23 ' A' 2092 ' ' LEU . . . -84.86 136.2 33.76 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.268 -0.878 . . . . 1.11 109.213 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2089 ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -49.5 -34.74 17.86 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.542 0.526 . . . . 0.74 111.414 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -49.24 61.21 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.518 -0.764 . . . . 3.31 110.648 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.65 -38.8 92.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.447 -0.797 . . . . 1.88 111.85 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' 2088 ' ' ALA . 1.0 OUTLIER -69.49 -21.14 63.71 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.131 -0.228 . . . . 1.33 111.364 -176.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.6 5.99 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.248 -0.977 . . . . 0.29 112.523 177.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2094 ' ' ILE . . . . . . . . . . . . . 27.9 mm -69.3 118.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.172 0.511 . . . . 1.09 111.339 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -93.73 -172.45 2.88 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.089 -1.078 . . . . 1.07 108.089 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.03 -21.58 54.32 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 119.655 -0.818 . . . . 0.91 109.29 174.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' 2100 ' ' LEU . 17.6 mt -71.55 -50.07 34.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.595 -1.184 . . . . 2.18 110.504 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -14.48 58.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.665 -0.698 . . . . 1.08 112.136 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 1.04 110.609 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -73.09 -36.74 66.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.122 -0.49 . . . . 1.14 110.451 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.47 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -62.24 -40.43 96.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.72 111.209 178.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.413 HD23 ' CB ' ' A' 2070 ' ' ALA . 1.1 tt -56.48 -54.98 39.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 1.34 109.635 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -55.12 -47.77 74.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.01 -0.995 . . . . 3.14 110.233 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -50.02 -46.48 52.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 0.48 110.83 177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 22.8 m -65.31 -52.97 50.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 1.27 111.536 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' 2107 ' ' THR . 3.2 pp -70.32 -28.59 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 1.73 111.602 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.537 ' N ' HD13 ' A' 2106 ' ' LEU . 92.5 m -65.6 -46.01 80.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.22 0.533 . . . . 1.34 110.124 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 77.8 t60 -63.99 -32.41 73.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.598 -0.728 . . . . 3.58 111.143 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -82.05 -28.38 32.46 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.148 0.425 . . . . 3.21 112.148 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 29.3 p -90.44 -39.69 12.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 1.52 111.153 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 107.79 -30.36 9.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.902 -0.666 . . . . 1.05 112.324 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.2 pp -93.18 157.99 15.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.793 0.33 . . . . 1.99 110.349 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.54 123.96 34.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.786 -170.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.439 HD13 ' HE2' ' A' 2131 ' ' HIS . 2.6 mm? -104.9 144.08 28.0 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 3.41 110.336 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.18 143.78 84.9 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.018 2.478 . . . . 1.36 112.611 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.87 -10.67 18.1 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.09 2.527 . . . . 0.94 111.894 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.9 p -88.6 5.36 43.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 1.42 111.42 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2118 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -34.57 -70.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.773 0.657 . . . . 1.38 112.773 170.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 12.0 mm -81.29 -0.17 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 122.017 0.913 . . . . 1.12 109.819 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 4.7 t80 -83.66 -47.14 11.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.899 -1.046 . . . . 4.38 109.221 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.92 -42.22 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.698 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -121.81 58.66 9.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 119.074 -0.488 . . . . 0.87 111.786 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.426 ' C ' ' HG1' ' A' 2124 ' ' THR . 71.6 Cg_endo -81.7 104.28 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 CA-C-N 120.905 1.359 . . . . 0.48 111.315 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.426 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.75 146.87 0.61 Allowed Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.672 -1.233 . . . . 1.12 107.672 171.454 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.443 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.7 Cg_exo -57.8 -52.03 6.87 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.449 1.433 . . . . 0.29 111.227 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.622 ' O ' ' HG3' ' A' 2130 ' ' GLN . 81.3 t60 -66.08 -37.15 85.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.819 -0.628 . . . . 0.92 111.156 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2127 ' ' ALA . . . . . 0.443 ' HA ' ' OE1' ' A' 2130 ' ' GLN . . . -66.3 -39.19 89.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.556 -0.293 . . . . 1.1 111.451 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.07 -40.1 94.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.688 -0.486 . . . . 1.32 109.688 172.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -52.49 -41.86 63.77 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.348 0.405 . . . . 1.1 110.296 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' 2126 ' ' HIS . 32.2 mt-30 -63.47 -48.99 75.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 2.45 109.953 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.439 ' HE2' HD13 ' A' 2114 ' ' LEU . 81.5 t60 -61.56 -49.57 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.71 110.74 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' 2135 ' ' ARG . 3.6 mm? -62.93 -32.39 73.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.678 -0.692 . . . . 1.27 110.635 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -72.82 -33.52 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.06 -0.348 . . . . 0.79 110.06 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.586 ' HA ' ' OG1' ' A' 2137 ' ' THR . 33.0 m -64.44 -30.8 71.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.082 -0.508 . . . . 1.38 109.935 176.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' 2132 ' ' LEU . 8.8 mmm180 -56.79 -33.74 66.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 3.81 111.296 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.463 HD23 ' HE1' ' A' 2049 ' ' MET . 1.0 OUTLIER -89.7 -35.83 15.56 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.367 -0.379 . . . . 2.85 110.995 -179.437 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2137 ' ' THR . . . . . 0.586 ' OG1' ' HA ' ' A' 2134 ' ' THR . 52.7 p -77.82 -18.22 56.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 1.65 111.217 -175.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -57.73 -51.56 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.717 -0.674 . . . . 3.15 111.098 175.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 25.8 m 60.79 176.28 0.1 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.477 0.656 . . . . 3.76 111.856 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.542 -0.742 . . . . 7.57 109.767 177.511 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.227 -0.349 . . . . 6.87 112.227 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' 2110 ' ' THR . 6.2 m -78.53 149.17 33.14 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.076 -0.342 . . . . 4.62 110.076 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -80.25 20.75 0.65 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.299 0.571 . . . . 7.56 110.976 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.495 ' CG ' ' HG ' ' A' 2136 ' ' LEU . 56.0 mtt -67.22 -24.18 65.8 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.552 -0.749 . . . . 3.75 110.881 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -84.97 -1.57 56.9 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.101 -0.954 . . . . 10.18 111.162 -174.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 10.8 mp -93.27 24.43 3.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.223 -0.444 . . . . 6.93 111.424 -176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.4 p30 -48.68 140.38 8.43 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.14 0.495 . . . . 5.24 110.987 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 108.0 -6.22 34.76 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.561 -1.016 . . . . 3.97 110.561 -171.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.526 ' CD1' ' HG3' ' A' 2059 ' ' GLN . 2.9 pp -72.15 148.56 45.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.666 -0.767 . . . . 3.72 110.242 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 7.1 m -79.43 145.46 63.81 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.349 -0.982 . . . . 2.3 108.349 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' A' 2060 ' ' GLN . 97.6 Cg_exo -41.23 -46.49 5.48 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.248 2.632 . . . . 1.99 114.403 -174.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.57 -18.4 61.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.027 0.38 . . . . 2.69 112.027 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -57.18 -53.7 55.07 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.046 0.45 . . . . 2.63 110.915 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.556 ' O ' HD13 ' A' 2063 ' ' LEU . 6.5 mt-30 -68.37 -42.06 79.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.051 -0.522 . . . . 2.83 110.925 175.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' 2056 ' ' PRO . 78.1 mt-30 -54.53 -41.05 69.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.507 0.558 . . . . 1.39 112.507 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -67.54 -40.66 85.01 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.429 -0.509 . . . . 2.4 110.887 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 94.3 m -57.18 -58.57 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 1.48 110.746 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' 2059 ' ' GLN . 6.3 mp -61.51 -35.4 77.6 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.077 -0.965 . . . . 1.61 112.099 -177.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.36 -27.58 68.67 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.994 0.426 . . . . 1.1 110.807 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 31.6 m -85.55 -32.82 21.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.902 -0.59 . . . . 1.14 109.411 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.51 -63.03 1.45 Allowed 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.46 -0.791 . . . . 1.1 110.534 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' 2063 ' ' LEU . 6.1 p -54.89 -38.54 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.933 -0.576 . . . . 1.38 111.216 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.35 -52.1 67.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 1.06 110.832 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.71 -27.51 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.876 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' 2074 ' ' VAL . . . -62.28 -55.31 29.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.018 -0.537 . . . . 1.07 110.015 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.496 ' CG2' HD12 ' A' 2083 ' ' ILE . 5.5 t -70.54 -28.35 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 1.04 110.304 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' 2078 ' ' HIS . . . -67.99 -15.01 63.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.653 -0.703 . . . . 1.17 110.569 174.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 55.1 m -90.25 -36.17 14.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.131 -0.486 . . . . 1.31 111.178 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -82.05 -39.19 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.074 0.464 . . . . 1.48 110.464 -176.316 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.483 ' O ' ' HD2' ' A' 2078 ' ' HIS . 56.6 mt -90.64 143.38 26.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.734 -0.667 . . . . 1.58 111.463 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -70.33 -20.1 76.51 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.557 -0.747 . . . . 1.92 114.09 -173.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 22.0 p80 -66.28 -30.25 70.63 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.599 0.7 . . . . 2.09 110.701 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.483 ' HD2' ' O ' ' A' 2075 ' ' LEU . 11.3 m170 54.09 -158.38 0.18 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.509 -0.768 . . . . 6.84 111.458 -178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 4.8 m 68.49 101.32 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.186 0 C-N-CA 123.082 0.553 . . . . 1.9 111.713 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.12 -15.01 35.61 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.621 2.214 . . . . 0.74 110.699 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -69.73 -39.03 77.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.332 -1.304 . . . . 2.96 110.698 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.8 m -82.22 0.15 42.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.075 -0.966 . . . . 2.08 110.988 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.496 HD12 ' CG2' ' A' 2071 ' ' THR . 8.1 mm -80.56 102.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.746 -0.661 . . . . 1.24 110.261 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 32.0 m -84.5 129.83 55.96 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.919 0.39 . . . . 1.07 110.006 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.464 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.9 Cg_endo -65.78 -30.9 49.48 Favored 'Trans proline' 0 N--CA 1.472 0.241 0 C-N-CA 123.724 2.949 . . . . 0.43 113.758 -171.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.1 -9.92 55.81 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.95 0.352 . . . . 1.21 111.95 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 4.5 m -83.22 152.92 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.367 0.604 . . . . 1.06 110.781 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -89.19 140.21 29.7 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.028 -0.987 . . . . 1.11 109.72 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.424 ' HB3' HG13 ' A' 2094 ' ' ILE . 16.1 m-85 -57.2 -24.43 54.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.74 111.869 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.04 -65.1 0.61 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.12 0.486 . . . . 3.31 110.28 168.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -27.31 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.008 -0.996 . . . . 1.88 112.893 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.76 -22.55 56.35 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.591 -0.444 . . . . 1.33 111.833 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.92 -0.47 9.14 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.213 -0.994 . . . . 0.29 113.151 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' 2089 ' ' PHE . 28.1 mm -68.62 124.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.158 0.504 . . . . 1.09 112.126 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -103.2 -165.75 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.064 -1.087 . . . . 1.07 108.064 170.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.442 ' HB3' ' H3 ' ' A' 2201 ' ' 66S . 0.1 OUTLIER -74.14 -31.78 62.88 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.58 0.705 . . . . 0.91 109.502 173.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' 2100 ' ' LEU . 19.9 mt -60.86 -50.67 72.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.39 -1.277 . . . . 2.18 110.453 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.4 p -86.16 -10.44 54.77 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.243 -0.889 . . . . 1.08 111.968 -178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.71 92.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 1.04 109.966 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -76.67 -37.19 56.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.284 -0.416 . . . . 1.14 110.61 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.8 mm-40 -63.76 -42.23 97.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.317 . . . . 0.72 111.641 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.459 HD11 ' HB ' ' A' 2071 ' ' THR . 1.1 tt -60.19 -53.64 55.29 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.876 -0.416 . . . . 1.34 109.876 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.545 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 39.2 ttp-105 -54.46 -41.42 69.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.751 -0.659 . . . . 3.14 110.865 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.4 m-20 -50.6 -49.02 57.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.48 110.935 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.3 m -64.47 -42.22 96.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.743 -0.662 . . . . 1.27 110.593 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.8 -40.34 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 1.73 111.178 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 7.0 m -72.37 -28.56 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.599 . . . . 1.34 109.966 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -74.49 -24.34 59.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.571 -0.74 . . . . 3.58 110.657 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.43 -51.74 68.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.214 0.531 . . . . 3.21 111.041 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.468 ' CG2' HD13 ' A' 2136 ' ' LEU . 15.0 p -105.83 -14.32 15.26 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.464 -0.789 . . . . 1.52 112.758 -169.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 76.94 -7.61 34.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.53 -0.843 . . . . 1.05 112.813 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.404 ' HG ' ' OG1' ' A' 2110 ' ' THR . 2.9 pp -78.36 -171.77 2.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.192 -0.299 . . . . 1.99 110.192 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -102.15 141.48 34.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 120.794 0.331 . . . . 1.18 110.208 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.9 tp -137.55 132.57 17.65 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.897 -0.592 . . . . 3.41 109.404 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.594 ' O ' ' HB2' ' A' 2118 ' ' LEU . 31.4 Cg_endo -63.94 141.88 79.42 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.13 2.553 . . . . 1.36 112.453 -176.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.545 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 26.0 Cg_exo -60.15 -21.29 65.42 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.931 2.421 . . . . 0.94 111.753 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.1 p -84.02 2.65 38.05 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.323 -0.853 . . . . 1.42 111.212 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -41.18 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.439 -0.8 . . . . 1.38 112.664 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 31.2 mm -75.2 -18.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.394 0.616 . . . . 1.12 110.385 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.39 -39.73 74.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.573 -0.739 . . . . 4.38 110.06 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -43.02 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.46 -0.791 . . . . 2.0 111.912 -173.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -123.4 65.24 30.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.87 111.401 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.405 ' HG3' ' C8 ' ' A' 2201 ' ' 66S . 70.1 Cg_endo -81.6 104.41 1.46 Allowed 'Trans proline' 0 N--CA 1.444 -1.387 0 CA-C-N 120.451 1.197 . . . . 0.48 110.825 176.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.13 137.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 114.625 -1.17 . . . . 1.12 108.606 174.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' 2085 ' ' PRO . 31.3 Cg_exo -59.22 -54.76 2.34 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.835 1.69 . . . . 0.29 112.307 -177.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.585 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.4 t60 -69.84 -31.15 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.92 111.474 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -71.83 -43.91 64.78 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.105 -0.238 . . . . 1.1 110.966 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.56 -38.92 72.59 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.29 . . . . 1.32 110.433 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' 2126 ' ' HIS . 94.5 m -49.07 -53.23 21.38 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.629 -0.714 . . . . 1.1 110.91 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -64.05 -35.56 81.12 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.214 -0.903 . . . . 2.45 111.39 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' 2135 ' ' ARG . 72.7 t60 -67.47 -52.95 33.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.908 0.385 . . . . 0.71 110.95 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.434 ' O ' HD11 ' A' 2136 ' ' LEU . 3.9 mm? -63.99 -28.8 70.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.038 -0.528 . . . . 1.27 110.339 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.74 -42.49 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.79 109.885 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 89.5 m -61.21 -33.98 74.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.878 -0.601 . . . . 1.38 110.973 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.48 ' O ' ' HB3' ' A' 2139 ' ' SER . 17.6 mmm180 -68.4 -17.31 64.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 3.81 110.795 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.495 ' HG ' ' CG ' ' A' 2049 ' ' MET . 8.8 mp -101.51 -39.37 7.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.839 -0.618 . . . . 2.85 111.518 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 40.1 p -90.95 -41.95 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.161 0.505 . . . . 1.65 111.475 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.87 -34.06 26.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.919 -0.582 . . . . 3.15 110.738 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2139 ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' 2135 ' ' ARG . 27.5 t -105.58 112.35 25.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.886 0.374 . . . . 3.76 110.488 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 47.9 t-80 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.579 -0.724 . . . . 7.57 110.007 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.442 ' H3 ' ' HB3' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.835 -0.506 . . . . 6.87 111.835 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.643 ' HB2' ' O ' ' A' 2110 ' ' THR . 33.2 t -112.48 175.38 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 4.62 110.132 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -111.03 21.29 16.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.349 0.595 . . . . 7.56 109.412 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.507 ' HE2' ' O ' ' A' 2135 ' ' ARG . 32.8 mtt -71.71 -16.44 62.23 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.333 -0.849 . . . . 3.75 111.773 -175.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -67.96 -20.3 65.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.588 0.709 . . . . 10.18 110.186 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' A' 2054 ' ' LEU . 7.9 mp -87.8 22.61 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.509 -0.769 . . . . 6.93 110.414 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -54.32 148.51 11.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.319 0.581 . . . . 5.24 110.805 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.61 -11.76 30.31 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.069 -0.812 . . . . 3.97 111.069 -173.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' 2051 ' ' LEU . 81.9 mt -63.57 135.31 56.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.874 0.369 . . . . 3.72 110.474 175.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 4.1 p -69.67 155.83 92.8 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.924 -0.58 . . . . 2.3 109.565 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' 2060 ' ' GLN . 90.0 Cg_exo -42.93 -48.1 7.8 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.123 2.549 . . . . 1.99 113.519 -176.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -66.04 -28.87 69.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.527 0.566 . . . . 2.69 112.527 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.463 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 11.5 mm-40 -71.63 -44.31 64.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.216 0.531 . . . . 2.63 110.62 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.546 ' O ' HD11 ' A' 2063 ' ' LEU . 20.0 mm-40 -68.46 -50.59 51.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.943 -0.571 . . . . 2.83 110.503 174.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' 2056 ' ' PRO . 64.5 mt-30 -54.2 -39.0 66.27 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 113.055 0.761 . . . . 1.39 113.055 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' 2062 ' ' THR . 3.6 pt20 -66.17 -43.64 86.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.805 -0.758 . . . . 2.4 110.233 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' 2061 ' ' GLN . 91.2 m -57.4 -60.19 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.21 0.528 . . . . 1.48 110.722 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.546 HD11 ' O ' ' A' 2059 ' ' GLN . 5.4 mp -58.38 -36.16 73.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.309 -0.86 . . . . 1.61 112.063 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.1 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 1.1 110.875 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.6 m -79.89 -29.88 40.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 1.14 109.06 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.54 -64.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.948 -1.024 . . . . 1.1 110.638 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' 2063 ' ' LEU . 7.5 p -54.29 -40.49 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.953 -0.567 . . . . 1.38 111.541 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -59.36 -51.56 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.161 -0.472 . . . . 1.06 111.042 175.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.458 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.29 -30.48 69.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.811 0.339 . . . . 1.0 110.542 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.719 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.05 -63.01 1.44 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.03 -0.532 . . . . 1.07 109.643 177.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.423 ' HB ' HD13 ' A' 2102 ' ' LEU . 10.6 t -60.04 -35.38 74.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 1.04 111.18 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' 2078 ' ' HIS . . . -70.37 -27.38 64.29 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.758 -0.656 . . . . 1.17 111.536 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.8 m -90.14 -36.1 15.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.119 0.414 . . . . 1.31 112.119 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -60.21 -33.93 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.827 -0.805 . . . . 1.48 108.827 178.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.423 HD21 HG23 ' A' 2098 ' ' THR . 58.7 mt -89.57 -44.16 10.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.708 -1.133 . . . . 1.58 110.882 174.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 69.63 77.86 0.4 Allowed Glycine 0 CA--C 1.511 -0.164 0 N-CA-C 111.206 -0.758 . . . . 1.92 111.206 -176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.52 -3.28 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.242 0.83 . . . . 2.09 113.242 -169.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' 2072 ' ' ALA . 48.2 t60 -157.11 141.51 16.54 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.866 -0.734 . . . . 6.84 112.134 -168.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 26.4 m -69.65 130.89 90.02 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 1.9 109.529 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.458 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 14.8 Cg_exo -67.76 -26.03 39.17 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 122.718 2.279 . . . . 0.74 110.956 -173.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.94 -19.37 65.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.341 -1.299 . . . . 2.96 110.569 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.1 t -110.46 14.7 22.49 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.474 -0.785 . . . . 2.08 111.168 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.517 HG13 ' HB1' ' A' 2068 ' ' ALA . 4.3 mm -79.48 118.9 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 O-C-N 122.043 -0.411 . . . . 1.24 110.116 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' 2125 ' ' PRO . 22.5 m -81.3 129.23 67.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 121.096 0.474 . . . . 1.07 111.029 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.49 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 74.2 Cg_endo -69.96 -33.07 16.54 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.587 2.858 . . . . 0.43 114.359 -174.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.17 -13.47 58.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.006 0.372 . . . . 1.21 112.006 -174.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.5 m -80.48 154.74 27.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.253 0.549 . . . . 1.06 110.884 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.484 ' O ' HD21 ' A' 2092 ' ' LEU . . . -88.81 141.71 28.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.58 -0.736 . . . . 1.11 109.88 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.458 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.4 m-85 -55.65 -28.72 56.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.739 0.304 . . . . 0.74 110.835 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -51.42 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.459 -0.791 . . . . 3.31 110.069 171.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.14 -35.08 66.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.459 -1.246 . . . . 1.88 111.78 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' 2088 ' ' ALA . 0.5 OUTLIER -67.62 -21.21 65.4 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 121.1 -0.24 . . . . 1.33 111.4 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.17 10.82 5.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.29 112.563 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 35.3 mm -81.17 126.23 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.809 0.337 . . . . 1.09 111.27 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.18 -169.32 1.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.188 -1.041 . . . . 1.07 108.188 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -24.45 62.16 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.938 -0.705 . . . . 0.91 110.025 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.59 ' O ' ' HG ' ' A' 2100 ' ' LEU . 46.5 mt -66.11 -54.92 19.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.019 -0.991 . . . . 2.18 110.477 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.423 HG23 HD21 ' A' 2075 ' ' LEU . 2.7 p -82.22 -14.09 56.07 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.036 -0.983 . . . . 1.08 112.287 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.99 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.885 0.374 . . . . 1.04 110.515 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.4 pp -75.33 -35.98 61.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.747 -0.381 . . . . 1.14 110.715 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' 2104 ' ' ASN . 6.7 mm-40 -63.9 -40.28 96.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.72 110.964 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.8 OUTLIER -61.2 -53.26 59.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 1.34 110.402 175.044 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.416 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 46.8 ttp85 -52.93 -39.92 63.23 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.038 -0.528 . . . . 3.14 110.748 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' 2101 ' ' GLU . 75.4 m-20 -51.98 -53.41 41.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.48 110.945 175.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.9 m -61.94 -45.21 94.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.363 . . . . 1.27 110.972 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.9 mt -60.6 -38.98 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 1.73 111.448 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 62.7 m -67.91 -32.96 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.0 -0.545 . . . . 1.34 111.065 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 7.5 m170 -68.63 -19.38 64.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 3.58 111.771 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.32 -30.87 65.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.008 0.433 . . . . 3.21 111.181 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2110 ' ' THR . . . . . 0.643 ' O ' ' HB2' ' A' 2047 ' ' SER . 25.6 p -111.93 -25.72 9.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.519 0.563 . . . . 1.52 112.519 -176.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 75.71 5.81 79.89 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.73 -0.748 . . . . 1.05 111.392 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.46 ' HG ' ' HB ' ' A' 2110 ' ' THR . 51.9 mt -78.78 -167.94 1.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.823 -0.689 . . . . 1.99 110.709 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 39.1 t70 -122.81 96.51 5.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.713 0.768 . . . . 1.18 110.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.44 133.26 33.33 Favored Pre-proline 0 C--N 1.31 -1.118 0 CA-C-N 114.385 -1.28 . . . . 3.41 109.777 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.508 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.3 Cg_endo -61.37 144.28 98.28 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 C-N-CA 123.107 2.538 . . . . 1.36 111.877 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.416 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 14.4 Cg_endo -59.06 -9.38 7.87 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.899 2.4 . . . . 0.94 112.383 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.8 p -93.57 3.43 55.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.025 -0.534 . . . . 1.42 110.803 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -39.49 -69.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.871 0.869 . . . . 1.38 112.249 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.92 -20.26 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.444 0.64 . . . . 1.12 110.457 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.76 ' HA ' ' H3A' ' A' 2201 ' ' 66S . 3.7 m-85 -72.45 -31.57 65.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.599 -0.728 . . . . 4.38 110.63 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.8 -39.58 10.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.753 -0.658 . . . . 2.0 112.11 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -130.66 65.56 76.6 Favored Pre-proline 0 N--CA 1.465 0.304 0 C-N-CA 120.578 -0.449 . . . . 0.87 111.513 -174.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -81.07 104.5 1.55 Allowed 'Trans proline' 0 N--CA 1.442 -1.504 0 CA-C-N 120.45 1.196 . . . . 0.48 110.584 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.43 138.31 0.41 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.761 -1.109 . . . . 1.12 108.858 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.49 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 40.7 Cg_exo -57.31 -58.27 0.95 Allowed 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 121.959 1.773 . . . . 0.29 112.542 -177.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.64 ' O ' ' HB ' ' A' 2129 ' ' THR . 85.0 t60 -70.4 -34.54 72.67 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.793 0.294 . . . . 0.92 111.793 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.52 89.72 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.972 -0.291 . . . . 1.1 111.251 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.412 HD12 ' CD1' ' A' 2106 ' ' LEU . 37.6 mt -57.58 -39.75 77.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.576 -0.284 . . . . 1.32 110.459 171.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' 2126 ' ' HIS . 93.2 m -52.45 -42.7 64.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.953 -0.567 . . . . 1.1 110.461 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' 2126 ' ' HIS . 55.6 mt-30 -64.14 -44.65 91.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.343 -0.844 . . . . 2.45 110.487 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 21.0 t60 -61.56 -52.95 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.71 110.902 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.03 -30.31 70.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.726 -0.389 . . . . 1.27 110.163 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -61.1 -35.76 77.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.741 0.305 . . . . 0.79 110.603 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.586 ' O ' ' HG3' ' A' 2138 ' ' GLN . 12.5 m -69.73 -41.99 74.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 1.38 110.045 175.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' 2138 ' ' GLN . 6.5 mmt180 -59.99 -43.53 95.09 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.888 -0.597 . . . . 3.81 111.482 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.05 -44.91 87.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.521 -0.308 . . . . 2.85 111.607 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 17.9 p -73.7 -8.76 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.039 0.447 . . . . 1.65 111.597 -176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2138 ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' 2134 ' ' THR . 17.8 mt-30 -65.53 -22.9 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.784 -0.644 . . . . 3.15 111.387 176.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 41.9 t -116.6 132.26 56.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.978 0.418 . . . . 3.76 110.469 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.704 -0.665 . . . . 7.57 109.28 177.305 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.76 ' H3A' ' HA ' ' A' 2120 ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.778 -0.529 . . . . 6.87 111.778 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' 2049 ' ' MET . 1.1 m -95.87 131.89 41.72 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 110.049 -0.352 . . . . 4.62 110.049 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 25.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.809 0.814 . . . . 7.56 110.377 171.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.559 ' H ' ' C ' ' A' 2047 ' ' SER . 27.8 mtt -81.5 16.27 1.76 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.095 -0.957 . . . . 3.75 112.044 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -85.41 -12.04 52.99 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.279 -0.568 . . . . 10.18 109.632 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 97.7 mt -84.59 16.12 3.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.391 -0.822 . . . . 6.93 110.214 175.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -66.74 134.25 51.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.721 -0.672 . . . . 5.24 109.912 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.02 -5.25 28.86 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.311 -0.947 . . . . 3.97 111.997 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.462 ' HB2' ' CG ' ' A' 2059 ' ' GLN . 36.1 mt -73.54 171.74 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.97 -0.382 . . . . 3.72 109.97 171.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 21.7 m -75.26 160.44 80.03 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.24 -0.652 . . . . 2.3 109.24 174.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.577 ' O ' ' HG3' ' A' 2060 ' ' GLN . 88.7 Cg_exo -44.66 -56.13 2.83 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.978 2.452 . . . . 1.99 113.448 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.78 -37.18 81.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.827 0.346 . . . . 2.69 111.45 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -61.55 -32.54 72.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 2.63 110.787 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.706 ' O ' ' HG ' ' A' 2063 ' ' LEU . 23.9 mt-30 -80.84 -44.95 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.26 -0.427 . . . . 2.83 110.718 173.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' 2056 ' ' PRO . 54.0 mt-30 -50.43 -40.64 50.95 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 112.936 0.717 . . . . 1.39 112.936 -178.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.38 -45.16 88.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.23 0.456 . . . . 2.4 112.23 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2062 ' ' THR . . . . . 0.435 HG21 ' O ' ' A' 2059 ' ' GLN . 9.5 t -71.52 -16.74 62.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.243 0.544 . . . . 1.48 110.91 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' 2059 ' ' GLN . 14.9 mt -88.51 -38.18 15.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.203 -0.453 . . . . 1.61 109.957 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.11 69.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.512 -0.767 . . . . 1.1 109.869 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 63.7 m -74.21 -30.28 62.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.423 -0.808 . . . . 1.14 109.713 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 17.6 tp -70.85 -63.74 1.04 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.773 -0.649 . . . . 1.1 110.583 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' 2063 ' ' LEU . 5.7 p -53.92 -40.08 43.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.003 -0.544 . . . . 1.38 111.959 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.0 -52.94 61.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 1.06 110.603 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.78 71.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 1.0 110.532 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' 2074 ' ' VAL . . . -61.93 -59.72 4.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.575 -0.739 . . . . 1.07 110.506 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.575 ' CG2' HD11 ' A' 2083 ' ' ILE . 3.8 t -69.12 -27.81 65.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 1.04 110.565 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -64.57 -36.1 83.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.698 -0.683 . . . . 1.17 110.412 174.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -68.86 -34.0 74.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.226 0.536 . . . . 1.31 110.493 177.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' 2070 ' ' ALA . 2.2 t -72.5 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.753 -0.658 . . . . 1.48 111.008 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.514 HD11 HD13 ' A' 2094 ' ' ILE . 8.1 mp -69.91 140.09 53.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.819 -0.628 . . . . 1.58 111.493 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -72.79 80.8 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 116.033 -0.53 . . . . 1.92 113.198 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 31.8 p80 -175.28 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.154 -0.684 . . . . 2.09 109.154 176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.448 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 25.8 t-80 45.41 82.42 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.314 -0.857 . . . . 6.84 112.762 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.41 97.51 5.12 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.191 -0.913 . . . . 1.9 109.699 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' 2083 ' ' ILE . 2.7 Cg_exo -74.37 -18.48 20.41 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.612 2.208 . . . . 0.74 110.295 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.61 -35.69 76.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.075 -1.421 . . . . 2.96 111.134 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -99.53 6.29 45.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.811 -0.631 . . . . 2.08 111.24 -173.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.575 HD11 ' CG2' ' A' 2071 ' ' THR . 37.1 mt -87.12 96.97 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 1.24 110.362 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 22.1 m -81.14 132.27 56.93 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.479 -0.782 . . . . 1.07 110.631 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.446 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 60.6 Cg_endo -68.86 -25.94 32.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.411 2.74 . . . . 0.43 112.934 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.49 -24.18 60.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 1.21 111.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.0 m -84.42 156.48 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 1.06 110.334 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -96.58 147.26 24.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.116 -0.493 . . . . 1.11 110.375 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.412 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 11.7 m-85 -53.25 -33.17 51.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.921 0.391 . . . . 0.74 110.905 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.06 -44.4 67.44 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.364 -0.834 . . . . 3.31 110.684 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.64 -30.86 36.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.636 -1.165 . . . . 1.88 111.921 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -22.74 63.08 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.795 0.294 . . . . 1.33 111.795 -178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 126.48 18.39 2.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 119.901 -1.143 . . . . 0.29 113.0 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.514 HD13 HD11 ' A' 2075 ' ' LEU . 29.2 mm -89.5 130.62 38.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.025 0.44 . . . . 1.09 111.413 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.89 -165.27 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.125 -1.065 . . . . 1.07 108.125 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.706 ' HB3' ' H2A' ' A' 2201 ' ' 66S . 0.2 OUTLIER -70.9 -25.65 62.87 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.6 -0.84 . . . . 0.91 110.01 176.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.8 mt -65.15 -60.59 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.959 -1.019 . . . . 2.18 110.43 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.419 HG22 HG13 ' A' 2074 ' ' VAL . 1.1 p -73.78 -17.82 61.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.13 -0.941 . . . . 1.08 112.083 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.83 -42.75 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.954 0.407 . . . . 1.04 110.769 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -78.07 -35.4 49.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.59 -0.444 . . . . 1.14 110.203 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.3 mm-40 -62.86 -40.67 98.18 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.231 0.539 . . . . 0.72 110.891 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.32 -53.31 50.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.741 -0.663 . . . . 1.34 109.693 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 40.4 ttp-105 -54.3 -41.59 69.13 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.595 -0.73 . . . . 3.14 110.811 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.5 m-20 -50.14 -50.38 48.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.992 0.425 . . . . 0.48 110.809 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.3 m -66.21 -45.44 80.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 1.27 110.851 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.67 -42.38 88.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 1.73 111.208 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 28.1 m -62.36 -44.48 96.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.101 0.477 . . . . 1.34 110.563 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.07 -26.46 65.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.828 -0.624 . . . . 3.58 110.987 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -93.36 -4.6 51.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.238 -0.437 . . . . 3.21 111.598 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 21.0 p -110.63 -27.56 8.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.583 -0.281 . . . . 1.52 111.24 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.21 -14.12 46.53 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 121.065 -0.588 . . . . 1.05 112.847 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.454 ' CD2' ' HE3' ' A' 2049 ' ' MET . 3.4 pp -103.57 -170.14 1.74 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.92 0.391 . . . . 1.99 110.763 -176.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -118.33 117.82 30.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.075 -0.511 . . . . 1.18 110.584 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.63 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -119.86 177.27 1.44 Allowed Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.578 -0.737 . . . . 3.41 109.364 179.784 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.63 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.8 Cg_endo -88.33 153.29 6.67 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.296 1.997 . . . . 1.36 112.934 -170.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.44 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 12.6 Cg_exo -68.25 -15.59 42.78 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.892 2.395 . . . . 0.94 111.431 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -83.5 -0.78 51.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.141 -0.936 . . . . 1.42 110.864 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -34.46 -67.03 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.972 -1.013 . . . . 1.38 112.83 176.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2099 ' ' ALA . 34.1 mm -79.31 -20.41 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.102 0.477 . . . . 1.12 110.803 -175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -67.02 -47.84 70.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.336 0.589 . . . . 4.38 110.042 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -81.11 -42.45 20.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.95 . . . . 2.0 112.167 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -127.06 63.09 55.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 C-N-CA 120.369 -0.532 . . . . 0.87 111.836 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -81.82 104.37 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 CA-C-N 120.39 1.175 . . . . 0.48 111.299 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.26 148.31 0.73 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 114.971 -1.013 . . . . 1.12 108.318 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.61 -54.51 0.74 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 121.711 1.608 . . . . 0.29 111.212 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.615 ' O ' ' HB ' ' A' 2129 ' ' THR . 76.2 t60 -67.42 -31.35 71.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.92 111.907 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -74.69 -41.16 60.74 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.816 -0.354 . . . . 1.1 111.567 -175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.92 -35.96 78.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.637 -0.505 . . . . 1.32 109.637 172.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' 2126 ' ' HIS . 95.5 m -53.11 -37.25 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.146 -0.933 . . . . 1.1 110.807 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' 2133 ' ' HIS . 16.4 mt-30 -73.89 -36.94 64.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 2.45 110.445 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -70.56 -43.35 69.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.71 110.812 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.28 -20.08 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.469 -0.493 . . . . 1.27 110.41 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2133 ' ' HIS . . . . . 0.459 ' NE2' ' HA ' ' A' 2056 ' ' PRO . 14.2 t-80 -62.18 -38.47 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.5 -0.555 . . . . 0.79 109.5 172.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 32.2 m -63.88 -38.84 92.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.612 -0.722 . . . . 1.38 110.726 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -62.99 -37.0 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.041 0.448 . . . . 3.81 110.884 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2136 ' ' LEU . . . . . . . . . . . . . 9.3 mp -73.69 -41.34 62.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 2.85 111.314 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 19.1 p -75.09 -22.72 58.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.175 0.512 . . . . 1.65 111.063 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -70.73 -24.85 62.71 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.721 -0.672 . . . . 3.15 110.606 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 23.1 t -90.54 119.25 30.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.932 -0.576 . . . . 3.76 109.771 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.738 -0.649 . . . . 7.57 110.393 -179.48 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.706 ' H2A' ' HB3' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.738 -0.545 . . . . 6.87 111.738 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 17.4 m -81.17 115.85 20.79 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.16 0.505 . . . . 4.62 111.331 -175.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 63.9 m170 -115.82 20.52 14.49 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.802 -0.814 . . . . 7.56 108.802 172.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.512 ' HG3' ' HG2' ' A' 2050 ' ' ARG . 9.9 ptt? -46.94 -41.05 15.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.633 -1.167 . . . . 3.75 113.991 -172.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2050 ' ' ARG . . . . . 0.512 ' HG2' ' HG3' ' A' 2049 ' ' MET . 24.2 mmt180 -107.08 7.43 29.69 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.796 0.331 . . . . 10.18 111.082 -174.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' 2136 ' ' LEU . 10.9 mp -89.77 -10.67 44.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.064 0.459 . . . . 6.93 110.531 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2052 ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' 2054 ' ' LEU . 24.9 t30 -76.89 117.07 18.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.828 -0.624 . . . . 5.24 109.856 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 74.29 -31.19 0.97 Allowed Glycine 0 CA--C 1.523 0.565 0 CA-C-N 116.147 -0.479 . . . . 3.97 113.271 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' 2052 ' ' ASN . 0.5 OUTLIER -92.09 125.47 36.79 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.229 0.538 . . . . 3.72 112.239 -177.809 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 16.8 m -72.06 164.24 60.56 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.77 -0.826 . . . . 2.3 108.77 169.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -41.9 -50.69 4.96 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.001 2.468 . . . . 1.99 113.832 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -73.19 -31.62 64.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.244 0.461 . . . . 2.69 112.244 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.41 ' CB ' ' HG ' ' A' 2054 ' ' LEU . 15.2 mm-40 -63.06 -32.58 73.98 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.392 0.615 . . . . 2.63 109.823 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.61 ' O ' HD11 ' A' 2063 ' ' LEU . 69.7 mt-30 -59.14 -51.14 71.29 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.475 -0.784 . . . . 2.83 110.397 173.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -51.43 -51.36 55.49 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 112.771 0.656 . . . . 1.39 112.771 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -60.43 -39.02 85.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.196 -0.602 . . . . 2.4 110.672 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 72.6 m -59.25 -59.33 5.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 1.48 110.601 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.61 HD11 ' O ' ' A' 2059 ' ' GLN . 6.7 mp -55.22 -38.42 68.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.896 -0.593 . . . . 1.61 111.881 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.58 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 1.1 111.016 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.3 m -85.92 -34.48 20.91 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.297 -0.631 . . . . 1.14 109.297 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.82 -62.24 2.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 1.1 110.465 174.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' 2063 ' ' LEU . 10.2 p -58.05 -38.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.623 -0.717 . . . . 1.38 111.601 -178.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.25 70.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.098 -0.334 . . . . 1.06 110.098 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.683 0.278 . . . . 1.0 110.732 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2070 ' ' ALA . . . . . . . . . . . . . . . -65.21 -50.87 64.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.403 -0.362 . . . . 1.07 111.173 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.639 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -76.16 -18.38 59.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.455 0.645 . . . . 1.04 110.274 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' 2078 ' ' HIS . . . -73.73 -39.74 64.07 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.486 -0.779 . . . . 1.17 110.357 170.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.6 m -65.22 -35.85 82.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.748 0.309 . . . . 1.31 111.64 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' 2071 ' ' THR . 0.1 OUTLIER -73.72 -60.77 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 1.48 111.693 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2075 ' ' LEU . . . . . 0.44 ' H ' HG23 ' A' 2074 ' ' VAL . 9.7 mp -60.94 128.08 34.73 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 1.58 112.008 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -52.17 -30.89 32.71 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 115.238 0.855 . . . . 1.92 115.238 -172.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 29.6 p80 -65.6 -30.8 71.57 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 117.763 0.781 . . . . 2.09 111.21 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.53 ' HA ' ' O ' ' A' 2072 ' ' ALA . 2.4 m80 41.75 79.33 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.746 0.818 . . . . 6.84 112.702 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.98 99.68 4.64 Favored Pre-proline 0 C--N 1.327 -0.387 0 C-N-CA 121.203 -0.199 . . . . 1.9 110.54 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.489 ' HA ' ' CD1' ' A' 2083 ' ' ILE . 10.9 Cg_exo -71.87 -19.65 26.88 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.804 2.336 . . . . 0.74 111.973 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.39 -37.31 85.24 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.193 -0.912 . . . . 2.96 112.087 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -100.05 18.77 17.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 2.08 111.118 -173.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.639 HD13 ' CG2' ' A' 2071 ' ' THR . 20.0 mt -96.41 90.0 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 121.547 0.689 . . . . 1.24 110.585 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.9 m -75.65 127.81 85.07 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.012 -0.995 . . . . 1.07 110.576 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -61.54 -30.8 86.8 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.887 3.058 . . . . 0.43 113.404 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -72.91 -16.75 61.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.417 -0.356 . . . . 1.21 111.796 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.2 m -91.05 156.48 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 1.06 111.136 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -93.41 141.71 28.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.411 -0.813 . . . . 1.11 109.937 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.563 ' HB3' ' CG1' ' A' 2094 ' ' ILE . 8.6 m-30 -56.06 -26.76 50.6 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.74 111.63 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -52.69 -58.51 6.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.472 0.483 . . . . 3.31 109.961 172.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.59 -41.16 76.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.686 -0.688 . . . . 1.88 111.724 174.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.72 -23.67 64.38 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.088 0.403 . . . . 1.33 112.088 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 131.0 -2.74 5.57 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 119.624 -1.274 . . . . 0.29 114.659 174.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.563 ' CG1' ' HB3' ' A' 2089 ' ' PHE . 15.7 mm -60.22 121.86 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 117.669 0.734 . . . . 1.09 111.131 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -104.57 -163.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 1.07 109.584 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -69.43 -34.26 74.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.425 0.631 . . . . 0.91 110.413 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.629 ' O ' ' HG ' ' A' 2100 ' ' LEU . 50.3 mt -73.87 -60.08 2.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.066 -0.97 . . . . 2.18 110.864 -176.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.5 p -67.28 -11.23 56.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.14 -0.937 . . . . 1.08 112.709 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.94 95.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 1.04 110.636 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -82.67 -37.29 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.446 -0.502 . . . . 1.14 110.55 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.1 mm-40 -62.07 -40.55 96.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.958 0.408 . . . . 0.72 111.231 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' 2094 ' ' ILE . 1.8 tt -59.04 -55.11 39.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.336 -0.616 . . . . 1.34 109.336 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.415 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 35.7 ttp-105 -54.76 -42.09 71.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.924 -1.035 . . . . 3.14 110.858 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -51.63 -40.92 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.045 0.45 . . . . 0.48 110.943 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 23.0 m -72.8 -45.6 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 1.27 110.517 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -45.6 90.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.032 -0.531 . . . . 1.73 111.723 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.7 m -59.49 -40.42 86.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.263 0.554 . . . . 1.34 110.231 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.11 -28.22 63.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.537 -0.756 . . . . 3.58 111.142 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -88.86 -10.83 46.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 3.21 111.368 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 31.7 p -106.63 -39.98 5.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.999 -0.546 . . . . 1.52 110.852 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.75 60.26 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.84 -0.695 . . . . 1.05 112.779 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.0 pp -92.37 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.812 0.339 . . . . 1.99 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.78 119.16 34.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.23 0.538 . . . . 1.18 111.176 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.622 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -122.97 177.74 1.55 Allowed Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.208 -0.906 . . . . 3.41 109.229 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.622 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 51.7 Cg_endo -90.07 155.11 4.8 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.567 2.178 . . . . 1.36 112.802 -171.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.415 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 32.8 Cg_endo -65.72 -10.83 28.09 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.843 2.362 . . . . 0.94 111.961 176.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -92.94 2.56 56.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.855 -0.611 . . . . 1.42 110.724 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.5 tm? -36.36 -70.06 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.974 0.909 . . . . 1.38 113.002 177.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 37.5 mm -77.96 -20.95 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 121.388 0.613 . . . . 1.12 110.343 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.459 ' CZ ' ' H43' ' A' 2201 ' ' 66S . 2.1 m-85 -67.08 -34.72 78.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.465 -0.789 . . . . 4.38 110.196 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2121 ' ' ASP . . . . . 0.416 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 7.5 t70 -94.69 -45.7 7.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.634 -0.712 . . . . 2.0 111.171 -176.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2122 ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 2.2 m-70 -121.25 63.94 13.39 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.798 -0.361 . . . . 0.87 111.715 -172.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.494 ' HG3' ' C8 ' ' A' 2201 ' ' 66S . 60.9 Cg_endo -80.34 104.69 1.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 CA-C-N 120.466 1.202 . . . . 0.48 109.83 176.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.442 ' OG1' ' HB1' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.15 144.68 0.58 Allowed Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.891 -1.049 . . . . 1.12 109.005 -175.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.25 -60.36 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 121.515 1.477 . . . . 0.29 112.224 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.61 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.5 t60 -71.07 -33.24 70.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.92 111.589 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2127 ' ' ALA . . . . . 0.442 ' HB1' ' OG1' ' A' 2124 ' ' THR . . . -67.35 -39.85 85.8 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.165 -0.214 . . . . 1.1 111.368 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2128 ' ' LEU . . . . . 0.439 HD12 ' CG2' ' A' 2067 ' ' VAL . 23.0 mt -62.13 -39.65 93.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.724 -0.472 . . . . 1.32 109.724 172.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.61 ' HB ' ' O ' ' A' 2126 ' ' HIS . 92.8 m -52.23 -53.82 38.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.569 -0.741 . . . . 1.1 110.759 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -40.68 88.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.738 -0.665 . . . . 2.45 110.687 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 58.4 t60 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.927 0.394 . . . . 0.71 110.877 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.445 ' HA ' ' HG2' ' A' 2135 ' ' ARG . 3.5 mm? -70.15 -21.39 63.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.224 -0.444 . . . . 1.27 110.957 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -73.58 -35.27 65.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.683 -0.488 . . . . 0.79 109.683 174.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2134 ' ' THR . . . . . 0.527 ' HA ' ' OG1' ' A' 2137 ' ' THR . 46.3 m -68.07 -29.71 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 1.38 110.353 178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.445 ' HG2' ' HA ' ' A' 2132 ' ' LEU . 28.3 mmm180 -54.76 -42.98 72.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.47 0.653 . . . . 3.81 110.79 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.402 ' HB3' HD11 ' A' 2051 ' ' LEU . 42.0 mt -85.21 -34.7 21.97 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.153 -0.93 . . . . 2.85 111.394 -174.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2137 ' ' THR . . . . . 0.527 ' OG1' ' HA ' ' A' 2134 ' ' THR . 38.4 p -74.25 -17.14 60.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.051 -0.522 . . . . 1.65 110.531 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.51 -47.3 82.25 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.68 -0.691 . . . . 3.15 111.048 174.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 3.9 p -77.95 103.62 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.063 -0.517 . . . . 3.76 110.973 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 41.8 m80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.296 -0.859 . . . . 7.57 110.507 -178.543 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.494 ' C8 ' ' HG3' ' A' 2123 ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.88 -0.488 . . . . 6.87 111.88 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' 2049 ' ' MET . 15.9 m 58.8 73.08 0.49 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.473 0.654 . . . . 4.62 110.228 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.25 13.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.942 -1.026 . . . . 7.56 113.064 -173.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' 2054 ' ' LEU . 13.3 mmt -64.19 -64.63 0.83 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.731 0.776 . . . . 3.75 111.197 -172.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -75.18 -6.83 51.71 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.474 -1.239 . . . . 10.18 111.168 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2051 ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' 2051 ' ' LEU . 5.0 mp -102.75 -53.48 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.316 -0.402 . . . . 6.93 111.229 -174.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -94.02 115.83 28.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.073 0.397 . . . . 5.24 112.073 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 67.88 -32.18 0.23 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 116.595 1.398 . . . . 3.97 116.595 165.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' 2049 ' ' MET . 84.0 mt -97.1 140.47 31.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 118.626 1.213 . . . . 3.72 112.634 -174.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.464 ' OG ' ' HG2' ' A' 2058 ' ' GLN . 33.5 p -98.62 167.89 10.69 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 107.916 -1.142 . . . . 2.3 107.916 168.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.533 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 36.0 Cg_exo -39.43 -49.44 3.15 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.012 2.475 . . . . 1.99 114.126 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -68.08 -38.18 82.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 2.69 111.736 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' A' 2061 ' ' GLN . 78.4 mm-40 -71.55 -29.0 64.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.406 . . . . 2.63 111.574 -174.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.582 ' O ' HD11 ' A' 2063 ' ' LEU . 52.1 mt-30 -57.75 -42.6 84.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.346 -0.388 . . . . 2.83 111.428 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -54.61 -42.94 71.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.236 0.828 . . . . 1.39 113.236 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2061 ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' 2058 ' ' GLN . 25.9 pt20 -61.3 -42.22 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.305 -0.558 . . . . 2.4 110.598 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 53.5 m -58.5 -59.39 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.978 -0.555 . . . . 1.48 110.701 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.764 ' O ' HG21 ' A' 2067 ' ' VAL . 6.9 mp -55.0 -49.7 70.84 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.562 -0.745 . . . . 1.61 111.989 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.65 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.086 0.47 . . . . 1.1 111.711 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.6 m -90.73 -33.83 15.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.635 -0.711 . . . . 1.14 109.628 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.32 -58.43 8.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.599 -0.728 . . . . 1.1 110.027 174.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.764 HG21 ' O ' ' A' 2063 ' ' LEU . 23.7 t -45.22 -53.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 122.201 1.0 . . . . 1.38 110.896 174.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2068 ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' 2072 ' ' ALA . . . -58.26 -45.93 86.91 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.531 -1.668 . . . . 1.06 111.733 -177.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.455 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -69.81 -32.69 71.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.779 0.323 . . . . 1.0 110.907 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.631 ' O ' HG11 ' A' 2074 ' ' VAL . . . -62.18 -56.17 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 1.07 110.642 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' 2102 ' ' LEU . 5.7 t -64.76 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.687 . . . . 1.04 110.312 -178.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.538 ' CB ' ' HA ' ' A' 2078 ' ' HIS . . . -73.45 -19.62 60.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.064 -0.971 . . . . 1.17 111.154 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.1 m -87.24 -39.39 15.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 1.31 111.255 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.631 HG11 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -70.2 -39.44 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 1.48 109.414 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 64.6 mt -91.52 175.36 6.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.018 -0.992 . . . . 1.58 110.51 174.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -100.75 60.79 0.64 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.698 -0.763 . . . . 1.92 112.907 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 30.1 p80 -160.57 56.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.314 0.578 . . . . 2.09 109.8 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.538 ' HA ' ' CB ' ' A' 2072 ' ' ALA . 13.1 t-160 -74.93 73.65 2.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.019 0.914 . . . . 6.84 112.339 -172.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.457 HG23 ' HB3' ' A' 2081 ' ' GLU . 19.1 m -137.12 95.28 11.96 Favored Pre-proline 0 N--CA 1.444 -0.775 0 CA-C-N 114.302 -1.317 . . . . 1.9 108.136 165.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.455 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 34.1 Cg_exo -61.97 -18.31 60.65 Favored 'Trans proline' 0 N--CA 1.471 0.189 0 C-N-CA 123.209 2.606 . . . . 0.74 112.232 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2081 ' ' GLU . . . . . 0.457 ' HB3' HG23 ' A' 2079 ' ' THR . 34.8 tt0 -61.56 -36.97 82.13 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.131 -0.941 . . . . 2.96 111.123 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 23.3 t -95.46 13.73 24.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 2.08 111.06 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.442 ' CG1' ' HA ' ' A' 2080 ' ' PRO . 5.3 mm -86.91 105.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.704 -0.48 . . . . 1.24 109.704 174.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' 2125 ' ' PRO . 20.0 m -77.0 125.91 86.23 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 1.07 110.563 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.504 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.3 Cg_endo -66.87 -30.85 39.72 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 123.683 2.922 . . . . 0.43 113.797 -174.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.35 -9.07 58.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.024 0.379 . . . . 1.21 112.024 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.8 m -84.63 152.74 23.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.408 0.623 . . . . 1.06 111.064 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.424 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.18 139.26 30.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.326 -0.852 . . . . 1.11 109.777 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.401 ' HB3' HG13 ' A' 2094 ' ' ILE . 20.8 m-85 -53.72 -27.57 28.98 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.535 0.522 . . . . 0.74 111.612 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.12 -59.89 3.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.51 0.671 . . . . 3.31 110.468 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.84 -37.83 83.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.49 -1.232 . . . . 1.88 111.942 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' 2088 ' ' ALA . 1.1 mm? -66.9 -22.48 65.96 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.905 -0.318 . . . . 1.33 111.279 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.69 0.59 8.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.168 -1.015 . . . . 0.29 113.14 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' 2089 ' ' PHE . 31.1 mm -67.58 121.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.196 0.522 . . . . 1.09 112.099 -178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -105.08 -164.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.578 -0.737 . . . . 1.07 109.085 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2096 ' ' SER . . . . . 0.536 ' HB3' H43A ' A' 2201 ' ' 66S . 0.0 OUTLIER -75.01 -17.25 60.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.435 0.636 . . . . 0.91 110.271 176.571 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.8 mt -82.56 -47.55 12.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.166 -0.925 . . . . 2.18 110.251 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.6 p -85.09 -14.23 47.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.381 -0.827 . . . . 1.08 111.887 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.12 83.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.15 0.5 . . . . 1.04 110.347 174.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 2097 ' ' LEU . 2.9 pp -77.65 -43.0 32.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.62 -0.432 . . . . 1.14 110.473 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.5 ' N ' HD12 ' A' 2100 ' ' LEU . 7.4 mm-40 -56.88 -43.51 81.32 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 111.943 0.349 . . . . 0.72 111.943 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.451 ' HA ' HG13 ' A' 2074 ' ' VAL . 1.1 tt -56.22 -56.04 25.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 1.34 111.004 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.702 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.8 ptt-85 -68.42 -26.55 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.749 -0.38 . . . . 3.14 110.406 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.41 HD21 ' HA ' ' A' 2101 ' ' GLU . 91.5 m-20 -58.34 -47.28 84.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.344 0.593 . . . . 0.48 109.46 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2105 ' ' THR . . . . . 0.539 HG21 ' OD1' ' A' 2109 ' ' ASN . 17.1 m -63.04 -52.11 64.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.137 -0.938 . . . . 1.27 109.772 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -36.93 69.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.983 -0.553 . . . . 1.73 111.389 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 92.6 m -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.376 0.608 . . . . 1.34 110.351 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -78.89 -26.73 43.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.643 -0.708 . . . . 3.58 111.454 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.539 ' OD1' HG21 ' A' 2105 ' ' THR . 13.2 m120 -68.85 -32.59 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.069 0.462 . . . . 3.21 110.735 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 30.7 p -95.65 -40.95 9.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.879 -0.6 . . . . 1.52 111.311 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.97 49.27 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.827 -0.702 . . . . 1.05 112.273 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.4 pp -100.27 -173.29 2.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 1.99 110.913 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.05 140.02 47.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.672 -0.694 . . . . 1.18 110.459 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.484 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 3.8 pp -142.23 166.8 19.05 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 3.41 110.813 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.485 ' HD2' HD23 ' A' 2118 ' ' LEU . 29.2 Cg_endo -91.71 160.61 3.47 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.788 2.992 . . . . 1.36 113.466 -168.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.702 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 33.1 Cg_endo -65.13 -9.96 23.82 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.253 2.636 . . . . 0.94 112.926 177.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.7 p -101.63 2.78 39.19 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.368 -0.378 . . . . 1.42 110.966 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' 2115 ' ' PRO . 1.5 tm? -37.51 -66.15 0.26 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.288 -0.869 . . . . 1.38 112.284 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.74 -22.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.175 0.512 . . . . 1.12 110.671 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.476 ' HE1' ' H43' ' A' 2201 ' ' 66S . 8.8 m-85 -73.67 -39.91 64.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.889 -0.596 . . . . 4.38 111.042 -177.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.55 -38.77 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 2.0 111.467 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -124.05 58.72 16.09 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 119.109 -0.472 . . . . 0.87 111.385 -173.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.505 ' C ' ' HG1' ' A' 2124 ' ' THR . 67.8 Cg_endo -80.92 104.55 1.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-N 120.971 1.383 . . . . 0.48 111.546 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.505 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -177.62 143.05 0.49 Allowed Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.674 -1.148 . . . . 1.12 108.042 170.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' 2085 ' ' PRO . 36.0 Cg_exo -60.37 -46.89 16.02 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 121.675 1.584 . . . . 0.29 111.81 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.539 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.1 t60 -75.47 -30.49 59.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.92 112.057 -178.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -73.43 -38.6 65.47 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.131 -0.355 . . . . 1.1 111.262 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.01 -28.54 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.96 -0.385 . . . . 1.32 109.96 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' 2126 ' ' HIS . 38.2 m -57.36 -36.54 71.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.823 -0.626 . . . . 1.1 110.387 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.35 -45.91 24.57 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.346 -0.843 . . . . 2.45 110.198 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 61.3 t60 -62.31 -52.97 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.71 110.562 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.488 HD12 ' HG3' ' A' 2135 ' ' ARG . 3.6 mm? -68.74 -23.01 64.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 1.27 111.063 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2133 ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' 2129 ' ' THR . 43.8 t-80 -64.71 -37.29 87.1 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.343 -0.614 . . . . 0.79 109.343 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.2 m -66.91 -41.2 87.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.781 -0.645 . . . . 1.38 109.547 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.488 ' HG3' HD12 ' A' 2132 ' ' LEU . 21.7 mmm180 -62.87 -42.45 99.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.611 -0.722 . . . . 3.81 110.918 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.454 ' HB3' ' HG3' ' A' 2049 ' ' MET . 29.8 mt -93.46 4.76 53.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.537 -0.756 . . . . 2.85 112.208 -172.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 22.0 p -105.48 -20.54 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.207 -0.664 . . . . 1.65 109.207 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -80.96 -7.81 59.61 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.648 -1.16 . . . . 3.15 110.907 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 12.5 p -87.58 111.6 21.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.734 -0.667 . . . . 3.76 110.942 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.495 -0.765 . . . . 7.57 110.09 177.393 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.536 H43A ' HB3' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.387 -0.285 . . . . 6.87 112.387 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2047 ' ' SER . . . . . 0.411 ' HB2' ' HG3' ' A' 2049 ' ' MET . 12.1 p -135.18 139.63 44.7 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.627 -0.337 . . . . 4.62 110.515 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2048 ' ' HIS . . . . . 0.531 ' HB2' ' OE1' ' A' 2059 ' ' GLN . 11.9 m170 -99.65 23.48 9.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.337 -0.392 . . . . 7.56 110.663 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.489 ' HG3' ' HG ' ' A' 2136 ' ' LEU . 50.1 mtt -48.09 -48.17 33.82 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.451 0.643 . . . . 3.75 111.817 -177.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -71.15 -12.21 61.36 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.002 -0.999 . . . . 10.18 111.11 -174.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.37 23.68 6.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.162 -0.472 . . . . 6.93 110.362 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 62.6 t30 -48.92 144.09 4.93 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.665 -0.698 . . . . 5.24 110.747 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 102.37 -2.09 50.23 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.577 -1.409 . . . . 3.97 109.577 -167.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2054 ' ' LEU . . . . . 0.644 ' CD2' ' HG3' ' A' 2059 ' ' GLN . 0.0 OUTLIER -65.33 156.86 30.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.786 -1.207 . . . . 3.72 110.804 176.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.463 ' N ' HD22 ' A' 2054 ' ' LEU . 19.7 m -89.1 136.86 29.88 Favored Pre-proline 0 C--N 1.317 -0.828 0 N-CA-C 108.621 -0.881 . . . . 2.3 108.621 176.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' A' 2060 ' ' GLN . 41.9 Cg_exo -37.08 -46.1 1.42 Allowed 'Trans proline' 0 CA--C 1.535 0.525 0 C-N-CA 124.108 3.206 . . . . 1.99 115.447 -167.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.27 -22.99 61.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.221 0.452 . . . . 2.69 112.221 -175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.42 -43.22 93.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.577 0.227 . . . . 2.63 111.494 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.644 ' HG3' ' CD2' ' A' 2054 ' ' LEU . 11.1 mt-30 -79.31 -43.4 23.67 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.489 -0.485 . . . . 2.83 110.456 175.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2060 ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' 2056 ' ' PRO . 42.6 mt-30 -55.65 -35.75 66.27 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 112.541 0.571 . . . . 1.39 112.541 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -63.13 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.275 -0.57 . . . . 2.4 110.311 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 98.3 m -61.44 -57.67 11.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.566 . . . . 1.48 110.723 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' 2059 ' ' GLN . 5.9 mp -59.66 -38.84 82.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.391 -0.822 . . . . 1.61 111.997 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.45 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 1.1 110.514 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 49.8 m -81.33 -34.83 31.59 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.5 -0.556 . . . . 1.14 109.5 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.05 -63.9 1.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.776 -0.647 . . . . 1.1 110.719 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' 2063 ' ' LEU . 7.7 p -53.62 -41.37 46.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 123.474 0.484 . . . . 1.38 111.362 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.64 -57.55 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 1.06 111.004 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.415 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.01 -28.49 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 1.0 110.939 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.581 ' O ' HG12 ' A' 2074 ' ' VAL . . . -63.02 -57.38 10.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.029 -0.532 . . . . 1.07 110.128 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.491 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.8 t -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.279 0.562 . . . . 1.04 110.426 -177.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.465 ' HB2' ' HA ' ' A' 2078 ' ' HIS . . . -66.29 -25.36 66.82 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.362 -0.835 . . . . 1.17 110.409 174.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 24.0 m -86.71 -35.84 19.02 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.89 -0.324 . . . . 1.31 110.864 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.78 -40.83 70.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 1.48 109.897 -179.182 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 72.2 mt -91.08 126.87 36.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 1.58 110.95 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -69.16 89.65 0.26 Allowed Glycine 0 CA--C 1.518 0.277 0 CA-C-N 116.048 -0.524 . . . . 1.92 113.145 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 28.3 p80 -175.29 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.743 -0.836 . . . . 2.09 108.743 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.465 ' HA ' ' HB2' ' A' 2072 ' ' ALA . 47.4 t-80 44.83 84.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.359 -1.291 . . . . 6.84 114.128 175.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2079 ' ' THR . . . . . 0.415 HG23 ' HB3' ' A' 2081 ' ' GLU . 4.3 m -152.71 96.7 2.95 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.887 -0.783 . . . . 1.9 108.887 167.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.415 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 23.0 Cg_exo -64.71 -19.48 64.58 Favored 'Trans proline' 0 N--CA 1.467 -0.064 0 C-N-CA 122.693 2.262 . . . . 0.74 111.655 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2081 ' ' GLU . . . . . 0.415 ' HB3' HG23 ' A' 2079 ' ' THR . 31.6 tt0 -64.98 -37.86 89.07 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.971 -1.013 . . . . 2.96 111.407 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.6 t -93.5 10.57 31.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.236 0.541 . . . . 2.08 110.55 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.491 HD13 ' CG2' ' A' 2071 ' ' THR . 21.9 mt -91.23 103.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.411 . . . . 1.24 110.032 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.548 ' HB2' ' OG1' ' A' 2087 ' ' THR . 53.9 m -75.49 130.67 79.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.189 -0.459 . . . . 1.07 110.581 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.489 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 60.1 Cg_endo -67.38 -27.62 40.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.321 2.68 . . . . 0.43 113.172 -175.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.93 -8.32 58.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.21 -0.45 . . . . 1.21 112.196 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.8 m -84.17 151.62 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.322 0.582 . . . . 1.06 110.906 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -87.04 137.59 32.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.284 -0.871 . . . . 1.11 109.497 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2089 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -53.39 -30.5 40.31 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.94 -0.573 . . . . 0.74 111.994 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -49.76 64.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 123.527 0.517 . . . . 3.31 109.911 174.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.89 -34.45 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 1.88 111.407 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.29 -23.38 63.82 Favored 'General case' 0 C--O 1.23 0.053 0 C-N-CA 120.827 -0.349 . . . . 1.33 111.251 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.99 5.7 6.18 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.021 -1.085 . . . . 0.29 112.918 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.457 HD12 ' OG1' ' A' 2071 ' ' THR . 33.8 mm -74.23 129.12 36.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.016 0.436 . . . . 1.09 111.663 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -112.73 -163.85 0.88 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.925 -1.139 . . . . 1.07 107.925 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 5.4 p -71.98 -39.87 68.99 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.125 -0.63 . . . . 0.91 110.7 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.776 ' O ' ' HG ' ' A' 2100 ' ' LEU . 2.1 tt -62.12 -53.46 55.06 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.422 -0.808 . . . . 2.18 111.61 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2098 ' ' THR . . . . . 0.512 ' N ' HD21 ' A' 2097 ' ' LEU . 0.6 OUTLIER -67.96 -16.45 64.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.8 0.333 . . . . 1.08 111.774 179.021 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.78 72.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.319 -0.4 . . . . 1.04 110.7 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.5 pp -80.25 -33.49 37.87 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.363 -0.535 . . . . 1.14 109.741 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' 2104 ' ' ASN . 9.2 mm-40 -58.71 -40.78 84.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.077 0.465 . . . . 0.72 110.664 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.427 HD22 HD13 ' A' 2106 ' ' LEU . 0.6 OUTLIER -63.59 -52.51 60.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.745 -0.662 . . . . 1.34 110.499 177.057 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.601 ' NH1' ' HA ' ' A' 2116 ' ' PRO . 40.0 mtm105 -58.44 -33.5 69.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.005 -0.543 . . . . 3.14 111.164 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' 2101 ' ' GLU . 73.4 m-20 -53.73 -42.29 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.48 111.0 175.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.61 -47.28 14.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.229 -0.441 . . . . 1.27 111.162 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.427 HD13 HD22 ' A' 2102 ' ' LEU . 85.0 mt -54.92 -48.45 73.08 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.873 0.368 . . . . 1.73 111.281 -177.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2107 ' ' THR . . . . . 0.471 ' HA ' HD22 ' A' 2114 ' ' LEU . 26.2 m -61.84 -49.69 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.647 . . . . 1.34 110.913 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 81.0 t60 -68.43 -32.63 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.767 -0.651 . . . . 3.58 111.574 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -71.51 -27.91 63.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 3.21 111.184 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 5.9 p -100.45 -35.28 9.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.295 -0.411 . . . . 1.52 111.943 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 92.36 11.68 59.39 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.146 -0.782 . . . . 1.05 111.146 -176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2112 ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' 2135 ' ' ARG . 57.4 mt -94.97 -168.57 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.973 -0.613 . . . . 1.99 111.313 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -120.51 119.81 34.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.859 -1.064 . . . . 1.18 109.715 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' 2107 ' ' THR . 4.2 mm? -112.48 133.35 21.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.315 -0.402 . . . . 3.41 110.91 -174.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -72.03 145.11 44.06 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.334 . . . . 1.36 111.802 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.601 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 38.1 Cg_endo -66.31 -13.25 39.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.822 2.348 . . . . 0.94 111.943 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.3 p -95.28 4.99 52.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.551 -0.75 . . . . 1.42 111.282 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.433 ' HB3' ' HD3' ' A' 2103 ' ' ARG . 20.8 tp -44.27 -59.04 2.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.326 0.584 . . . . 1.38 111.956 175.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 15.7 mm -79.08 -0.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 1.12 110.059 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2120 ' ' PHE . . . . . 0.4 ' HD1' ' O ' ' A' 2120 ' ' PHE . 0.5 OUTLIER -91.23 -42.43 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.752 -0.832 . . . . 4.38 108.752 175.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -86.06 -51.23 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.432 -0.804 . . . . 2.0 111.263 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -125.69 64.69 50.63 Favored Pre-proline 0 C--N 1.331 -0.204 0 C-N-CA 120.808 -0.357 . . . . 0.87 111.364 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -80.2 104.46 1.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 CA-C-N 120.568 1.239 . . . . 0.48 110.259 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.53 143.96 0.53 Allowed Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 114.582 -1.19 . . . . 1.12 108.923 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.5 Cg_exo -57.55 -59.47 0.57 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 121.806 1.671 . . . . 0.29 112.166 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.599 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.3 t60 -70.92 -35.23 72.18 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.974 0.361 . . . . 0.92 111.974 -174.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2127 ' ' ALA . . . . . 0.42 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.925 -0.31 . . . . 1.1 111.389 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.22 -36.75 82.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.982 0.42 . . . . 1.32 109.936 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.599 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -53.7 -42.98 68.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.543 -0.753 . . . . 1.1 110.341 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2130 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 2126 ' ' HIS . 60.9 mt-30 -61.35 -44.78 96.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.516 -0.766 . . . . 2.45 110.477 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.91 -56.54 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 0.71 110.819 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2132 ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' 2136 ' ' LEU . 3.3 mm? -68.61 -24.6 64.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.882 -0.599 . . . . 1.27 110.971 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -65.7 -34.42 78.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.021 -0.363 . . . . 0.79 110.021 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 4.6 m -72.51 -42.01 65.27 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.005 -0.543 . . . . 1.38 109.774 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.418 ' HB3' HD12 ' A' 2112 ' ' LEU . 36.3 mmt180 -63.95 -21.13 66.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.52 0.563 . . . . 3.81 112.52 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.569 ' HB3' HE22 ' A' 2059 ' ' GLN . 8.7 mp -100.58 -13.16 18.71 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 111.966 0.358 . . . . 2.85 111.966 -175.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 30.8 p -111.8 -50.99 2.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.468 0.651 . . . . 1.65 111.12 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -20.2 58.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.993 -1.003 . . . . 3.15 111.58 -174.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 44.1 t -74.36 111.19 9.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.963 -0.384 . . . . 3.76 109.963 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 78.1 m-70 . . . . . 0 C--O 1.246 0.871 0 CA-C-N 115.811 -0.632 . . . . 7.57 110.938 -176.045 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.695 ' H28' ' HB2' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 N-CA-C 111.634 -0.586 . . . . 6.87 111.634 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 14.5 m 59.93 -97.99 0.08 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.044 0.538 . . . . 4.62 111.244 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 8.3 p80 -132.39 6.81 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.682 0.277 . . . . 7.56 111.565 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2049 ' ' MET . . . . . 0.474 ' HE2' ' CD1' ' A' 2136 ' ' LEU . 24.5 mmt -72.08 -63.07 1.21 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.332 0.587 . . . . 3.75 112.463 -168.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -75.84 -0.67 22.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.106 -0.952 . . . . 10.18 111.269 -175.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.24 -53.99 3.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.106 -0.497 . . . . 6.93 110.601 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 40.3 t30 -96.25 113.8 25.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.382 0.512 . . . . 5.24 112.382 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 63.23 -32.44 0.08 OUTLIER Glycine 0 CA--C 1.531 1.065 0 N-CA-C 117.573 1.789 . . . . 3.97 117.573 163.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.81 137.02 33.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 118.844 1.322 . . . . 3.72 113.454 -170.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2055 ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' 2059 ' ' GLN . 39.9 p -100.35 169.47 7.91 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 114.19 -1.368 . . . . 2.3 107.625 164.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2056 ' ' PRO . . . . . 0.557 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 84.6 Cg_exo -46.82 -41.23 25.19 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.226 1.951 . . . . 1.99 113.1 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -71.36 -40.89 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.605 -0.271 . . . . 2.69 111.265 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2058 ' ' GLN . . . . . 0.411 ' HB2' ' H ' ' A' 2055 ' ' SER . 85.0 mm-40 -67.7 -33.58 75.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 2.63 111.069 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2059 ' ' GLN . . . . . 0.569 ' O ' HD11 ' A' 2063 ' ' LEU . 56.6 mt-30 -51.51 -55.06 21.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.881 -0.599 . . . . 2.83 111.033 175.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.35 -36.86 69.25 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.935 0.346 . . . . 1.39 111.935 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -62.32 -51.96 65.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.517 0.675 . . . . 2.4 109.684 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 58.7 m -53.6 -58.21 8.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.576 -1.193 . . . . 1.48 111.121 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2063 ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' 2059 ' ' GLN . 8.3 mp -57.38 -38.82 74.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.793 0.664 . . . . 1.61 112.793 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 1.1 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 22.0 m -90.63 -33.31 15.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 1.14 109.492 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2066 ' ' LEU . . . . . 0.51 HD22 ' ND2' ' A' 2109 ' ' ASN . 17.1 tp -54.32 -60.94 2.66 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.366 -0.833 . . . . 1.1 110.995 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2067 ' ' VAL . . . . . 0.495 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.5 p -54.41 -41.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.595 -0.73 . . . . 1.38 111.55 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.86 -51.9 62.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.862 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2069 ' ' ALA . . . . . 0.52 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.99 -31.91 72.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.897 0.379 . . . . 1.0 110.603 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2070 ' ' ALA . . . . . 0.682 ' O ' HG11 ' A' 2074 ' ' VAL . . . -63.21 -59.88 4.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.815 -0.629 . . . . 1.07 109.86 175.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2071 ' ' THR . . . . . 0.455 ' HB ' HD13 ' A' 2102 ' ' LEU . 7.3 t -66.41 -31.77 72.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.02 0.438 . . . . 1.04 111.004 -173.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2072 ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' 2078 ' ' HIS . . . -74.17 -19.01 60.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.014 -0.539 . . . . 1.17 111.15 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 66.3 m -89.88 -39.54 12.98 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.548 0.203 . . . . 1.31 111.548 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2074 ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -64.77 -36.64 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 109.069 -0.715 . . . . 1.48 109.069 179.115 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.48 -37.27 14.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.197 -0.911 . . . . 1.58 111.583 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 60.35 82.95 0.06 OUTLIER Glycine 0 N--CA 1.46 0.241 0 C-N-CA 121.155 -0.545 . . . . 1.92 112.002 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.63 -1.76 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.909 1.077 . . . . 2.09 113.909 -171.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2078 ' ' HIS . . . . . 0.476 ' O ' ' HB1' ' A' 2072 ' ' ALA . 33.9 t60 -161.52 142.47 11.1 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 119.839 -0.744 . . . . 6.84 112.154 -169.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 56.5 m -65.56 119.41 59.85 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.668 -0.696 . . . . 1.9 110.074 172.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2080 ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' A' 2069 ' ' ALA . 50.1 Cg_exo -56.99 -34.79 98.29 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.09 2.527 . . . . 0.74 112.318 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.42 -20.94 64.99 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.488 -0.778 . . . . 2.96 111.208 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 10.7 t -110.32 19.35 18.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 2.08 111.033 -176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2083 ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' 2072 ' ' ALA . 9.3 mt -87.45 117.65 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 O-C-N 122.053 -0.404 . . . . 1.24 110.48 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2084 ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' 2125 ' ' PRO . 33.2 m -69.11 134.11 89.59 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.745 . . . . 1.07 111.002 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2085 ' ' PRO . . . . . 0.489 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 57.1 Cg_endo -67.92 -30.48 32.91 Favored 'Trans proline' 0 N--CA 1.471 0.172 0 C-N-CA 123.737 2.958 . . . . 0.43 113.938 -172.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -96.93 13.97 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.957 0.725 . . . . 1.21 112.957 -173.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2087 ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.2 m -90.93 152.51 20.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.174 0.511 . . . . 1.06 111.168 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2088 ' ' ALA . . . . . 0.457 ' O ' HD23 ' A' 2092 ' ' LEU . . . -83.99 139.21 32.69 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.684 -0.689 . . . . 1.11 109.408 176.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2089 ' ' PHE . . . . . 0.456 ' HB3' HG13 ' A' 2094 ' ' ILE . 13.6 m-85 -60.89 -25.54 66.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 0.74 112.18 -176.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -18.22 61.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 120.968 0.414 . . . . 3.31 110.879 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.96 -29.45 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.329 -0.619 . . . . 1.88 109.329 174.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2092 ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' 2088 ' ' ALA . 0.6 OUTLIER -80.86 -23.24 39.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.194 -0.457 . . . . 1.33 110.818 178.074 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.57 11.22 5.61 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.364 -0.922 . . . . 0.29 113.463 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2094 ' ' ILE . . . . . 0.456 HG13 ' HB3' ' A' 2089 ' ' PHE . 26.0 mm -70.33 125.19 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.986 0.422 . . . . 1.09 112.089 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2095 ' ' ASP . . . . . 0.516 ' HA ' H43A ' A' 2201 ' ' 66S . 22.9 m-20 -98.37 -168.58 1.67 Allowed 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.601 -0.727 . . . . 1.07 109.061 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -24.08 44.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 118.924 -1.11 . . . . 0.91 109.608 174.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.7 mt -75.58 -52.79 9.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.158 -0.928 . . . . 2.18 110.027 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.52 -12.01 60.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.301 -0.863 . . . . 1.08 111.825 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2099 ' ' ALA . . . . . 0.528 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.12 -47.65 85.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 1.04 110.122 173.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2100 ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -70.81 -35.82 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.418 -0.355 . . . . 1.14 110.781 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2101 ' ' GLU . . . . . 0.566 ' N ' HD13 ' A' 2100 ' ' LEU . 6.7 mm-40 -58.74 -44.04 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.795 0.331 . . . . 0.72 111.396 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2102 ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.7 tt -56.61 -54.46 45.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.03 -0.532 . . . . 1.34 110.065 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2103 ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 60.2 ttp85 -55.41 -40.13 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 3.14 111.182 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2104 ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' 2101 ' ' GLU . 84.0 m-20 -51.22 -51.88 49.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.48 110.601 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.8 m -62.16 -45.4 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 1.27 110.821 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2106 ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' 2102 ' ' LEU . 73.0 mt -59.77 -44.51 93.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 1.73 111.326 -178.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 24.3 m -65.54 -41.93 92.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.929 -0.578 . . . . 1.34 110.867 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.38 -27.07 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.973 -0.558 . . . . 3.58 110.954 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2109 ' ' ASN . . . . . 0.51 ' ND2' HD22 ' A' 2066 ' ' LEU . 7.7 t30 -77.08 -48.13 18.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.158 0.504 . . . . 3.21 110.973 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 17.7 p -70.62 -41.03 72.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 1.52 111.438 -174.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.48 -31.07 8.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 1.05 112.731 175.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.4 pp -84.44 -177.65 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.963 0.411 . . . . 1.99 110.717 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.96 133.5 55.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.134 -0.484 . . . . 1.18 110.026 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2114 ' ' LEU . . . . . 0.627 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -135.06 177.17 2.36 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.772 -0.649 . . . . 3.41 109.424 -178.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2115 ' ' PRO . . . . . 0.627 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.6 Cg_endo -81.33 151.62 17.79 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.014 1.809 . . . . 1.36 112.83 -168.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2116 ' ' PRO . . . . . 0.443 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 35.1 Cg_endo -64.38 -16.66 56.3 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.108 2.539 . . . . 0.94 111.973 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 20.6 p -89.89 4.09 51.02 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.865 -0.607 . . . . 1.42 110.967 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2118 ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' 2115 ' ' PRO . 2.0 tm? -32.81 -62.09 0.26 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.68 0.792 . . . . 1.38 112.958 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2119 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 2099 ' ' ALA . 41.1 mm -75.04 -25.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.336 0.589 . . . . 1.12 110.838 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -73.7 -32.1 63.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.568 -0.742 . . . . 4.38 110.279 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.7 -51.65 8.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 2.0 111.124 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -126.66 72.58 74.3 Favored Pre-proline 0 N--CA 1.465 0.276 0 CA-C-O 119.359 -0.353 . . . . 0.87 111.61 -171.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2123 ' ' PRO . . . . . 0.577 ' HB3' ' H8 ' ' A' 2201 ' ' 66S . 60.5 Cg_endo -81.71 104.24 1.43 Allowed 'Trans proline' 0 N--CA 1.446 -1.293 0 CA-C-N 120.479 1.207 . . . . 0.48 111.581 177.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2124 ' ' THR . . . . . 0.438 ' HG1' ' C ' ' A' 2123 ' ' PRO . 0.0 OUTLIER -178.55 140.68 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 124.573 1.149 . . . . 1.12 108.235 168.436 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2125 ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 51.9 Cg_exo -55.57 -58.15 1.25 Allowed 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 121.914 1.743 . . . . 0.29 112.216 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2126 ' ' HIS . . . . . 0.543 ' O ' ' HB ' ' A' 2129 ' ' THR . 71.6 t60 -69.17 -31.48 70.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.92 111.946 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.55 87.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.84 0.352 . . . . 1.1 110.636 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.26 -36.89 85.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.992 -0.549 . . . . 1.32 110.512 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2129 ' ' THR . . . . . 0.543 ' HB ' ' O ' ' A' 2126 ' ' HIS . 90.9 m -52.07 -52.61 50.06 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.172 -0.467 . . . . 1.1 110.009 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -63.73 -44.89 92.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.361 -0.836 . . . . 2.45 111.955 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2131 ' ' HIS . . . . . 0.661 ' O ' ' HG2' ' A' 2135 ' ' ARG . 74.8 t60 -58.17 -59.49 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.932 -0.307 . . . . 0.71 110.227 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.03 -31.64 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 1.27 110.957 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -60.87 -45.9 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.867 -0.42 . . . . 0.79 109.867 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 11.0 m -66.07 -33.96 76.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.76 -0.655 . . . . 1.38 110.274 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2135 ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' 2131 ' ' HIS . 3.7 mmp_? -61.99 -35.52 78.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.399 0.619 . . . . 3.81 110.556 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2136 ' ' LEU . . . . . 0.474 ' CD1' ' HE2' ' A' 2049 ' ' MET . 13.9 mt -88.48 -33.06 17.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.328 -0.851 . . . . 2.85 111.271 -175.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 32.2 p -78.91 -26.26 43.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.645 0.26 . . . . 1.65 111.494 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -63.68 -16.61 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 3.15 111.528 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 42.7 t -92.13 79.17 5.15 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.339 0.59 . . . . 3.76 109.582 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 23.5 t60 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.456 -0.783 . . . . 7.57 109.436 177.32 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2201 ' ' 66S . . . . . 0.577 ' H8 ' ' HB3' ' A' 2123 ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.748 ' O ' ' HG ' ' A' 2063 ' ' LEU . 52.4 mt-30 . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.738 -0.467 . . . . 2.83 109.738 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -54.32 -44.5 72.09 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 112.406 0.521 . . . . 1.38 112.406 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.59 -40.26 86.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 1.97 110.567 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' 2059 ' ' GLN . 84.9 m -57.93 -43.85 86.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.83 110.756 173.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' 2059 ' ' GLN . 17.6 mt -78.43 -36.89 44.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.376 -0.829 . . . . 0.92 111.292 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.21 -24.37 67.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.169 0.509 . . . . 0.37 110.419 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -82.42 -38.39 24.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.18 -0.674 . . . . 0.42 109.18 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.97 -63.94 1.12 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.261 -0.881 . . . . 0.37 111.385 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.35 -38.9 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 0.64 111.596 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.05 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.549 -0.296 . . . . 0.29 110.905 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.465 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.97 -32.72 74.12 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.1 0.476 . . . . 0.29 109.96 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.97 -56.83 13.68 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.339 -0.846 . . . . 0.34 110.353 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.571 ' HB ' HD11 ' A' 2102 ' ' LEU . 14.0 t -68.08 -36.36 79.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.014 0.435 . . . . 0.38 111.417 -174.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.617 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -68.25 -22.84 64.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.1 -0.5 . . . . 0.54 110.565 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 54.4 m -81.01 -42.16 21.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.6 111.499 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -62.48 -36.73 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.353 0.596 . . . . 0.78 109.816 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.528 -0.76 . . . . 1.24 111.978 177.378 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.731 -0.47 . . . . 1.52 109.731 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' 2069 ' ' ALA . 52.8 Cg_exo -57.78 -29.56 86.28 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.031 2.487 . . . . 0.7 112.566 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.02 -21.9 66.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 2.96 110.646 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.7 t -100.57 6.9 44.28 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.539 -0.755 . . . . 1.7 111.122 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' 2072 ' ' ALA . 11.5 mt -83.58 111.03 19.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.899 0.38 . . . . 0.76 110.189 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.449 ' HB2' ' OG1' ' A' 2087 ' ' THR . 25.3 m -74.31 126.5 88.92 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.822 -0.626 . . . . 0.42 111.427 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.523 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 18.4 Cg_endo -59.59 -38.79 79.99 Favored 'Trans proline' 0 CA--C 1.516 -0.394 0 C-N-CA 123.954 3.103 . . . . 0.36 113.671 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -71.96 -5.79 37.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.671 -0.695 . . . . 0.47 112.147 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.469 ' O ' HG22 ' A' 2124 ' ' THR . 3.7 m -90.28 153.1 20.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.214 0.531 . . . . 0.39 110.861 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.414 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.25 142.82 27.06 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.477 -0.783 . . . . 0.32 110.083 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.492 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.2 m-85 -54.36 -29.72 49.26 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.323 0.389 . . . . 0.48 110.915 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -42.8 -63.61 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.22 -0.9 . . . . 2.91 110.605 168.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.97 -37.61 83.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.931 -1.486 . . . . 1.88 112.103 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' 2088 ' ' ALA . 0.9 OUTLIER -67.55 -21.44 65.46 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.664 0.246 . . . . 0.73 111.664 -178.474 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.09 10.62 8.04 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.421 -0.895 . . . . 0.27 112.767 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 33.7 mm -77.73 131.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.951 0.405 . . . . 0.28 111.685 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2095 ' ' ASP . . . . . 0.515 ' HB2' HD12 ' A' 2097 ' ' LEU . 29.2 m-20 -107.0 -162.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.012 -0.736 . . . . 1.07 109.012 172.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -34.17 51.57 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.06 -0.656 . . . . 0.85 111.371 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.61 -44.03 58.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.938 -0.573 . . . . 1.65 110.512 -177.652 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.89 -16.08 58.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.245 -0.434 . . . . 0.27 111.806 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.521 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.74 -48.54 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.29 110.417 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -70.69 -36.02 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.278 -0.419 . . . . 0.4 110.562 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.474 ' N ' HD12 ' A' 2100 ' ' LEU . 8.4 mm-40 -62.13 -38.84 90.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.864 0.364 . . . . 0.72 111.39 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.571 HD11 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -58.09 -53.81 54.01 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.824 -0.436 . . . . 0.65 109.824 173.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 50.3 ttp85 -53.74 -49.52 67.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.826 . . . . 2.43 109.791 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.42 HD22 ' HA ' ' A' 2101 ' ' GLU . 93.9 m-20 -48.95 -49.37 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.567 -0.742 . . . . 0.48 110.943 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 53.5 m -61.6 -53.15 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.51 111.743 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' 2102 ' ' LEU . 3.2 pp -72.67 -19.83 61.36 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.687 -0.405 . . . . 1.13 111.528 -176.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 93.5 m -73.71 -39.92 63.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 0.81 109.87 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -67.83 -24.36 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 2.81 110.673 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -91.69 -7.09 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.118 -0.492 . . . . 2.6 111.795 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 14.9 p -108.83 -29.69 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.758 0.281 . . . . 1.03 111.758 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.51 6.02 86.26 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.806 -0.712 . . . . 1.05 112.939 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 2.1 pp -109.88 -169.78 1.53 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.704 -0.292 . . . . 1.45 110.51 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -113.88 137.94 50.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.339 -0.391 . . . . 1.18 110.182 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' 2114 ' ' LEU . 3.9 tp -133.71 141.03 38.5 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.226 -0.443 . . . . 2.95 110.635 -172.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.57 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -66.94 144.09 68.91 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.191 2.594 . . . . 1.1 112.487 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.2 -5.96 12.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.956 2.437 . . . . 0.75 112.359 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.3 p -98.49 3.23 48.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.591 . . . . 0.86 110.106 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.7 OUTLIER -39.34 -64.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.387 -1.279 . . . . 0.7 112.635 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' 2099 ' ' ALA . 39.0 mm -73.89 -25.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 0.5 110.83 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.22 -36.52 83.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.914 -0.585 . . . . 3.49 110.294 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.86 -44.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 2.0 112.605 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2122 ' ' HIS . . . . . 0.416 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 7.9 m-70 -128.42 64.19 66.79 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 120.393 -0.523 . . . . 0.71 111.925 -172.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' 2124 ' ' THR . 59.5 Cg_endo -82.87 106.58 1.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 CA-C-N 119.972 1.026 . . . . 0.43 112.995 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.676 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p -176.67 158.99 1.58 Allowed Pre-proline 0 C--O 1.236 0.342 0 N-CA-C 105.786 -1.931 . . . . 0.5 105.786 164.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.501 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.3 Cg_exo -61.75 -38.97 56.43 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 120.427 1.188 . . . . 0.25 109.825 169.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 68.1 t60 -62.51 -55.95 22.63 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.19 -0.913 . . . . 0.8 112.484 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2127 ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -59.3 -40.06 85.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.303 . . . . 0.34 111.696 -173.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' 2119 ' ' ILE . 24.7 mt -67.3 -35.28 79.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.788 -0.365 . . . . 0.64 110.682 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.527 HG23 ' HB2' ' A' 2063 ' ' LEU . 63.8 m -54.49 -41.0 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.252 0.549 . . . . 0.33 110.6 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -47.88 35.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.51 -0.768 . . . . 2.22 110.077 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' 2135 ' ' ARG . 79.8 t60 -59.62 -50.22 74.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.973 -0.558 . . . . 0.59 110.573 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.33 -28.22 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.596 -0.274 . . . . 0.48 111.064 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -62.62 -46.41 88.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.562 -0.532 . . . . 0.67 109.562 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 9.6 m -65.65 -36.49 83.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.74 110.562 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 2131 ' ' HIS . 7.0 mmp_? . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 3.18 111.429 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.632 ' O ' HD13 ' A' 2063 ' ' LEU . 78.1 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.325 0.107 . . . . 2.83 110.746 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -48.26 -44.56 33.56 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 112.845 0.683 . . . . 1.38 112.845 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.28 -43.93 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 1.97 110.957 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 64.3 m -60.5 -56.59 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.83 110.791 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' 2059 ' ' GLN . 6.1 mp -61.22 -37.23 82.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.602 -0.726 . . . . 0.92 112.084 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.19 -26.59 67.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.37 110.801 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 27.9 m -83.2 -38.04 22.82 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.18 -0.674 . . . . 0.42 109.18 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.8 tp -55.31 -61.16 2.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.435 -0.802 . . . . 0.37 110.843 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' 2063 ' ' LEU . 6.2 p -56.48 -42.97 76.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.38 -0.827 . . . . 0.64 111.735 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.52 80.44 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.487 -0.19 . . . . 0.29 110.487 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.512 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.71 -40.01 90.71 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.812 0.339 . . . . 0.29 110.221 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.716 ' O ' HG13 ' A' 2074 ' ' VAL . . . -60.56 -56.81 16.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.724 -0.671 . . . . 0.34 110.845 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.454 ' CB ' HD11 ' A' 2102 ' ' LEU . 4.6 t -68.17 -25.32 65.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.215 0.531 . . . . 0.38 110.781 -175.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -76.07 -34.07 59.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.675 . . . . 0.54 111.236 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 92.4 m -78.91 -42.07 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.086 0.402 . . . . 0.6 112.086 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.716 HG13 ' O ' ' A' 2070 ' ' ALA . 1.8 m -60.66 -34.72 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.697 0.76 . . . . 0.78 109.572 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 114.825 -1.079 . . . . 1.24 111.109 176.75 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 24.0 m . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.214 -0.661 . . . . 1.52 109.214 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.512 ' HB3' ' N ' ' A' 2069 ' ' ALA . 12.8 Cg_exo -67.44 -28.79 38.54 Favored 'Trans proline' 0 CA--C 1.513 -0.527 0 C-N-CA 122.773 2.315 . . . . 0.7 110.785 -173.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.12 -29.11 70.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.231 -1.35 . . . . 2.96 110.245 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 38.7 t -101.95 12.32 37.12 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.055 -0.975 . . . . 1.7 111.125 -172.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.8 mt -84.11 128.27 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 0.76 111.046 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' 2125 ' ' PRO . 15.2 m -83.97 125.0 73.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.622 -0.717 . . . . 0.42 111.024 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.487 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 40.3 Cg_endo -63.49 -32.71 70.41 Favored 'Trans proline' 0 N--CA 1.473 0.306 0 C-N-CA 123.712 2.941 . . . . 0.36 113.929 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.66 -11.45 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.344 0.498 . . . . 0.47 112.344 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.6 m -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.485 0.66 . . . . 0.39 111.062 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.402 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.08 138.93 30.97 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.13 -0.941 . . . . 0.32 110.045 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.527 ' HB3' HG13 ' A' 2094 ' ' ILE . 7.6 m-30 -53.15 -30.37 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.469 -0.787 . . . . 0.48 112.523 -177.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -58.62 -40.19 82.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 2.91 110.81 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.49 -30.32 65.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.39 -0.823 . . . . 1.88 110.522 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.4 mm? -78.06 -21.75 50.15 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.501 -0.318 . . . . 0.73 110.915 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.96 2.51 6.09 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.229 -0.986 . . . . 0.27 113.932 173.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.527 HG13 ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -65.39 128.17 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.26 0.53 . . . . 0.28 112.063 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -107.68 -174.11 2.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.672 -0.862 . . . . 1.07 108.672 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -27.73 64.5 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.645 -0.822 . . . . 0.85 109.924 176.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.749 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.1 mt -64.53 -58.99 4.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.96 . . . . 1.65 110.709 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.92 60.75 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.771 -0.649 . . . . 0.27 112.199 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -61.87 -34.61 76.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.189 -0.459 . . . . 0.29 111.117 174.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -76.65 -42.28 42.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.306 -0.557 . . . . 0.4 110.635 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.511 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -60.38 -39.66 88.08 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.72 111.398 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' 2094 ' ' ILE . 0.9 OUTLIER -62.29 -52.56 63.23 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.908 -0.587 . . . . 0.65 110.859 -179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.684 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 14.8 ptt-85 -68.14 -24.09 64.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.758 -0.377 . . . . 2.43 110.267 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' 2101 ' ' GLU . 79.3 m-20 -58.05 -46.82 84.76 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.018 0.437 . . . . 0.48 109.914 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.6 m -72.81 -42.26 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.911 -0.586 . . . . 0.51 111.165 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' 2067 ' ' VAL . 93.9 mt -61.64 -55.8 26.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.944 0.402 . . . . 1.13 111.605 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 6.7 m -66.93 -27.48 67.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 0.81 110.798 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -68.23 -30.13 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 2.81 110.976 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -76.9 -20.93 55.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.579 0.704 . . . . 2.6 110.776 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.502 HG21 HD12 ' A' 2132 ' ' LEU . 1.3 p -110.67 -37.18 5.52 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 113.369 0.877 . . . . 1.03 113.369 -174.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 102.82 0.97 49.08 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.289 -0.958 . . . . 1.05 114.325 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.526 HD22 ' H ' ' A' 2112 ' ' LEU . 0.1 OUTLIER -66.67 -170.29 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 122.13 0.967 . . . . 1.45 110.855 175.558 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.16 131.17 48.84 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.486 -1.233 . . . . 1.18 110.165 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.96 108.25 1.51 Allowed Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.618 -0.719 . . . . 2.95 112.611 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.493 ' HG2' HD23 ' A' 2118 ' ' LEU . 57.7 Cg_endo -92.06 126.85 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.197 2.598 . . . . 1.1 112.031 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.684 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 21.7 Cg_endo -61.86 -10.42 17.27 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.359 2.039 . . . . 0.75 112.343 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2117 ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 16.7 p -103.39 2.44 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.86 112.11 -174.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.6 tm? -49.93 -66.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 0.7 111.857 -175.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.542 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.2 mm -79.72 -15.05 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.467 0.651 . . . . 0.5 110.307 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2120 ' ' PHE . . . . . 0.46 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.1 m-85 -72.68 -36.65 67.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.63 -0.714 . . . . 3.49 110.389 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -37.6 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 2.0 112.098 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -132.1 62.01 61.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.266 -0.574 . . . . 0.71 112.422 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' 2089 ' ' PHE . 64.0 Cg_endo -82.09 105.47 1.49 Allowed 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.499 1.214 . . . . 0.43 111.095 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.75 147.29 0.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.711 -0.848 . . . . 0.5 108.711 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.487 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.1 Cg_exo -62.76 -57.91 0.38 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 121.385 1.39 . . . . 0.25 111.523 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.453 ' O ' ' HB ' ' A' 2129 ' ' THR . 79.6 t60 -64.49 -41.96 96.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 0.8 111.779 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.644 0.259 . . . . 0.34 111.204 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' 2106 ' ' LEU . 42.3 mt -62.16 -34.81 77.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.64 110.846 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' 2126 ' ' HIS . 89.5 m -53.32 -48.11 68.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.051 0.453 . . . . 0.33 110.07 176.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' 2126 ' ' HIS . 8.1 mm100 -63.46 -36.43 83.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.434 -0.803 . . . . 2.22 111.118 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.563 ' O ' ' HG2' ' A' 2135 ' ' ARG . 46.9 t60 -62.34 -55.72 25.37 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 0.59 110.293 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.502 HD12 HG21 ' A' 2110 ' ' THR . 2.7 mm? -71.15 -25.72 62.68 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.678 -0.409 . . . . 0.48 110.709 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -63.85 -42.85 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.856 -0.424 . . . . 0.67 109.856 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 58.7 m -64.54 -37.0 86.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.881 -0.599 . . . . 0.74 110.61 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.9 mmp_? . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.143 0.497 . . . . 3.18 110.876 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.688 ' O ' HD13 ' A' 2063 ' ' LEU . 8.8 mm100 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 111.73 0.27 . . . . 2.83 111.73 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -53.41 -47.56 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.168 0.432 . . . . 1.38 112.168 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.477 -0.489 . . . . 1.97 110.907 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -60.03 4.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.83 110.802 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.688 HD13 ' O ' ' A' 2059 ' ' GLN . 5.3 mp -59.43 -37.41 78.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.28 -0.873 . . . . 0.92 112.152 -177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.37 110.828 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 34.9 m -83.3 -40.7 19.18 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.283 -0.636 . . . . 0.42 109.283 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.11 -62.05 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.147 -0.933 . . . . 0.37 111.11 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -57.76 -41.25 79.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.023 -0.535 . . . . 0.64 111.487 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.535 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -61.74 -49.16 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.144 -0.48 . . . . 0.29 110.945 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.422 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.16 -31.48 71.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.5 -0.318 . . . . 0.29 110.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 2074 ' ' VAL . . . -62.16 -64.52 0.91 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.34 109.718 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2071 ' ' THR . . . . . . . . . . . . . 11.2 t -59.81 -32.07 70.3 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.741 -0.663 . . . . 0.38 111.603 -174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.56 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -72.31 -33.21 67.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.869 -0.605 . . . . 0.54 111.455 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 88.0 m -81.63 -32.78 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.301 0.375 . . . . 0.6 111.669 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.595 HG12 HG22 ' A' 2098 ' ' THR . 1.5 t -51.84 -60.14 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.325 0.584 . . . . 0.78 109.807 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' 2075 ' ' LEU . 9.7 mp . . . . . 0 N--CA 1.445 -0.691 0 CA-C-N 115.255 -0.884 . . . . 1.24 111.468 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.414 HG22 ' H ' ' A' 2081 ' ' GLU . 10.8 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 109.07 -0.715 . . . . 1.52 109.07 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.422 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 24.5 Cg_exo -63.96 -23.18 68.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.627 2.218 . . . . 0.7 110.928 -177.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2081 ' ' GLU . . . . . 0.414 ' H ' HG22 ' A' 2079 ' ' THR . 10.4 mm-40 -72.09 -18.63 61.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.547 -1.206 . . . . 2.96 110.478 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.8 t -110.57 7.48 22.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.207 -0.906 . . . . 1.7 111.104 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' 2072 ' ' ALA . 7.3 mm -70.72 112.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 122.009 -0.432 . . . . 0.76 109.911 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.467 ' HB2' ' OG1' ' A' 2087 ' ' THR . 16.7 m -72.56 125.66 91.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.487 . . . . 0.42 110.57 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 54.5 Cg_endo -66.05 -32.18 44.47 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.701 2.934 . . . . 0.36 113.823 -174.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -83.23 -15.26 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.218 -0.446 . . . . 0.47 112.055 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.3 m -75.8 153.08 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.434 0.635 . . . . 0.39 110.771 -177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.74 144.57 25.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.425 -0.807 . . . . 0.32 109.863 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.463 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 32.1 m-85 -57.88 -28.35 64.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.461 -0.336 . . . . 0.48 110.792 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.87 -52.34 24.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.606 -0.725 . . . . 2.91 109.949 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.02 -28.29 57.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.685 -1.143 . . . . 1.88 112.176 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' 2088 ' ' ALA . 0.4 OUTLIER -70.24 -20.56 63.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.027 -0.269 . . . . 0.73 110.889 176.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.42 4.41 13.7 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.748 -0.739 . . . . 0.27 112.285 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 32.2 mm -70.86 135.12 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.968 0.413 . . . . 0.28 111.319 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.15 -169.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.901 -0.777 . . . . 1.07 108.901 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -24.71 63.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.85 110.115 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.0 mt -76.51 -48.44 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.446 -1.252 . . . . 1.65 110.308 -175.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.595 HG22 HG12 ' A' 2074 ' ' VAL . 1.2 p -82.26 -16.83 48.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.411 -0.813 . . . . 0.27 112.068 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.73 -42.04 87.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.068 0.461 . . . . 0.29 110.664 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.4 pp -73.7 -40.97 63.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.647 -0.421 . . . . 0.4 110.296 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.489 ' HA ' HD22 ' A' 2104 ' ' ASN . 16.7 mm-40 -58.63 -38.98 79.24 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 120.65 0.262 . . . . 0.72 111.307 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.477 HD22 HD11 ' A' 2106 ' ' LEU . 1.3 tt -61.49 -57.93 10.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.295 -0.411 . . . . 0.65 110.487 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -67.21 -20.48 65.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.277 -0.42 . . . . 2.43 111.253 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.489 HD22 ' HA ' ' A' 2101 ' ' GLU . 61.0 m-20 -57.18 -50.67 72.1 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.008 -0.367 . . . . 0.48 110.008 172.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.0 m -74.36 -36.79 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.531 . . . . 0.51 111.15 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.477 HD11 HD22 ' A' 2102 ' ' LEU . 89.8 mt -57.88 -49.54 76.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.947 0.403 . . . . 1.13 110.739 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.9 m -68.96 -33.42 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.81 110.431 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -62.31 -42.76 99.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.859 -0.61 . . . . 2.81 110.364 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.77 -35.94 77.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.892 -0.594 . . . . 2.6 110.947 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 19.7 p -88.13 -34.67 17.79 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.773 -0.648 . . . . 1.03 112.729 -170.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.27 5.07 63.99 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.86 -0.686 . . . . 1.05 112.075 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.6 -170.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 1.45 110.913 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2113 ' ' ASP . . . . . 0.645 ' O ' ' HD3' ' A' 2115 ' ' PRO . 12.6 t70 -99.02 139.12 35.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.341 -0.845 . . . . 1.18 109.105 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 60.0 tp -79.37 106.21 4.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.542 0.571 . . . . 2.95 112.542 -172.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' A' 2113 ' ' ASP . 72.2 Cg_endo -91.45 136.73 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.025 2.483 . . . . 1.1 112.148 175.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.8 -5.5 17.31 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.34 2.026 . . . . 0.75 112.096 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2117 ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' 2120 ' ' PHE . 4.8 p -102.85 2.6 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.86 111.579 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.471 HD23 ' HG2' ' A' 2115 ' ' PRO . 0.9 OUTLIER -52.28 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 0.7 111.799 -176.658 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' 2099 ' ' ALA . 31.3 mm -81.27 -14.62 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.625 . . . . 0.5 109.957 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2120 ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' 2117 ' ' THR . 68.7 t80 -69.11 -53.92 17.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 3.49 110.486 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.25 -41.04 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.509 -0.769 . . . . 2.0 111.786 -172.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.76 58.2 10.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 118.98 -0.533 . . . . 0.71 111.906 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -81.24 104.3 1.5 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 CA-C-N 121.159 1.45 . . . . 0.43 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 146.39 0.61 Allowed Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 124.655 1.182 . . . . 0.5 107.834 170.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.483 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -60.81 -53.6 2.56 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 121.608 1.539 . . . . 0.25 111.422 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.485 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 78.3 t60 -66.87 -34.57 78.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.8 111.932 -178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.51 74.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.724 0.297 . . . . 0.34 111.069 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.2 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.459 -0.337 . . . . 0.64 110.179 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' 2133 ' ' HIS . 89.0 m -56.59 -36.54 69.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.33 110.707 175.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.32 -46.16 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 2.22 110.497 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.559 ' O ' ' HG2' ' A' 2135 ' ' ARG . 64.0 t60 -58.91 -55.96 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.59 110.573 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.9 mm? -65.91 -28.25 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.823 -0.626 . . . . 0.48 110.833 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2133 ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' 2129 ' ' THR . 15.6 t-80 -63.36 -39.97 95.99 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.921 -0.4 . . . . 0.67 109.921 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 26.0 m -72.59 -39.96 66.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.001 -0.545 . . . . 0.74 110.495 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.3 mmp_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 3.18 110.856 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.678 ' O ' HD13 ' A' 2063 ' ' LEU . 4.8 mt-30 . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 120.059 -0.02 . . . . 2.83 110.981 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -53.83 -42.45 68.47 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.494 0.554 . . . . 1.38 112.494 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.994 -0.682 . . . . 1.97 110.696 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.2 m -55.68 -57.98 9.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.83 110.96 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' 2059 ' ' GLN . 5.8 mp -59.27 -36.88 76.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.669 -0.696 . . . . 0.92 111.719 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.76 74.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.957 0.408 . . . . 0.37 111.02 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.2 m -80.95 -37.93 28.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.35 -0.611 . . . . 0.42 109.35 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 16.6 tp -55.72 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.994 -1.003 . . . . 0.37 110.983 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -57.07 -41.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.64 111.374 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.29 111.148 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.41 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -67.08 -32.2 73.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.344 -0.389 . . . . 0.29 110.616 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.672 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.99 -61.13 2.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.34 110.153 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.454 ' HB ' HD11 ' A' 2102 ' ' LEU . 13.7 t -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.851 -0.613 . . . . 0.38 111.145 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -70.3 -23.42 62.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.54 111.624 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.3 m -90.22 -35.3 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.904 0.335 . . . . 0.6 111.904 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -65.69 -37.47 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.229 -0.656 . . . . 0.78 109.229 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.086 -0.961 . . . . 1.24 111.153 175.829 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.804 -0.443 . . . . 1.52 109.804 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.437 ' O ' ' HB1' ' A' 2068 ' ' ALA . 50.4 Cg_exo -55.71 -35.39 93.16 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.49 2.793 . . . . 0.7 112.5 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.92 -25.77 65.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.939 -0.573 . . . . 2.96 111.203 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 14.7 t -106.02 14.98 27.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.499 . . . . 1.7 111.419 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.1 mm -72.69 112.87 9.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.909 -0.404 . . . . 0.76 109.909 175.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.6 m -73.48 125.75 90.42 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.195 0.521 . . . . 0.42 111.073 -176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.435 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 59.8 Cg_endo -67.56 -32.46 31.17 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.813 3.009 . . . . 0.36 114.257 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.26 -13.54 58.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.18 0.437 . . . . 0.47 112.18 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.6 m -83.6 151.55 25.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.127 0.489 . . . . 0.39 110.493 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -90.61 141.73 28.48 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.656 . . . . 0.32 109.751 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.447 ' HZ ' ' CG2' ' A' 2067 ' ' VAL . 28.3 m-85 -52.13 -31.75 32.41 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.295 0.372 . . . . 0.48 111.291 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -49.89 -55.4 14.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.288 -0.869 . . . . 2.91 110.479 173.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.4 -28.92 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 1.88 111.597 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' 2089 ' ' PHE . 0.5 OUTLIER -66.48 -21.26 66.19 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 122.257 -0.277 . . . . 0.73 111.462 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.83 -9.19 9.16 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.631 -0.795 . . . . 0.27 112.141 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' 2089 ' ' PHE . 28.2 mm -61.54 130.81 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 122.847 0.459 . . . . 0.28 111.603 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -103.42 -169.67 1.68 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.727 -0.842 . . . . 1.07 108.727 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -25.82 59.45 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.745 0.783 . . . . 0.85 109.324 174.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' A' 2100 ' ' LEU . 29.5 mt -72.31 -51.38 21.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.332 -1.304 . . . . 1.65 110.661 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -13.73 59.82 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.665 -0.698 . . . . 0.27 111.936 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' 2119 ' ' ILE . . . -59.75 -39.62 85.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.29 110.794 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -73.8 -41.56 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.588 -0.445 . . . . 0.4 110.504 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' 2100 ' ' LEU . 9.4 mm-40 -59.56 -40.1 86.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.046 0.45 . . . . 0.72 111.479 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.1 tt -59.8 -55.02 39.46 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.65 110.655 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.58 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 19.1 ptt-85 -68.52 -22.21 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 2.43 110.868 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.47 HD22 ' HA ' ' A' 2101 ' ' GLU . 75.0 m-20 -58.74 -47.03 86.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.554 -0.536 . . . . 0.48 109.554 172.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2105 ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' 2109 ' ' ASN . 10.1 m -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.51 110.598 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 2102 ' ' LEU . 77.7 mt -56.57 -49.03 76.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 1.13 111.419 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 98.4 m -66.03 -42.76 89.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.418 . . . . 0.81 111.356 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.3 -29.84 65.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.222 -0.444 . . . . 2.81 110.65 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2109 ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.4 t-20 -82.26 -11.62 58.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.83 -0.623 . . . . 2.6 110.836 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 21.8 p -106.22 -40.81 5.52 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.868 0.321 . . . . 1.03 111.868 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 104.06 17.94 14.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.832 -0.699 . . . . 1.05 111.628 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 37.4 mt -91.53 -169.84 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 1.45 110.936 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2113 ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' A' 2115 ' ' PRO . 26.2 t70 -109.95 134.14 52.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.245 -0.889 . . . . 1.18 109.803 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.99 109.88 4.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 112.995 0.739 . . . . 2.95 112.995 -169.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.49 ' HG2' HD23 ' A' 2118 ' ' LEU . 73.4 Cg_endo -91.85 126.31 0.91 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.016 2.477 . . . . 1.1 111.883 172.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.58 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 40.1 Cg_endo -67.59 -9.4 25.28 Favored 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 122.192 1.928 . . . . 0.75 112.139 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2117 ' ' THR . . . . . 0.419 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 2.7 p -101.35 2.36 39.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.604 . . . . 0.86 111.756 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.3 tm? -49.52 -69.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.7 112.034 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2099 ' ' ALA . 35.3 mm -77.37 -16.35 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.435 0.636 . . . . 0.5 110.244 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2120 ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.7 m-30 -71.35 -37.71 71.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.685 -0.688 . . . . 3.49 110.441 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -95.94 -33.35 12.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.799 -0.637 . . . . 2.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -133.37 62.43 60.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 C-N-CA 120.522 -0.471 . . . . 0.71 111.848 -171.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -82.06 103.44 1.31 Allowed 'Trans proline' 0 N--CA 1.443 -1.45 0 CA-C-N 120.88 1.35 . . . . 0.43 111.201 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 142.22 0.45 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 114.942 -1.026 . . . . 0.5 108.641 172.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' 2084 ' ' SER . 35.3 Cg_exo -59.72 -55.63 1.62 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 121.837 1.691 . . . . 0.25 111.77 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 83.4 t60 -64.35 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.8 111.622 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.3 93.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.34 111.445 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.58 -37.45 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.64 110.962 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 56.5 m -53.66 -43.87 69.17 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.164 0.507 . . . . 0.33 110.412 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -68.58 -50.08 54.45 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.187 -0.915 . . . . 2.22 110.752 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.526 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.3 t60 -57.53 -54.18 49.71 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.449 . . . . 0.59 110.568 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -36.29 80.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.516 -0.766 . . . . 0.48 110.948 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -61.66 -35.13 77.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.27 . . . . 0.67 110.435 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 7.4 m -73.82 -40.35 63.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.476 . . . . 0.74 110.566 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' 2135 ' ' ARG . 2.5 mmp_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 3.18 111.822 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.604 ' O ' HD13 ' A' 2063 ' ' LEU . 45.7 mt-30 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.454 0.168 . . . . 2.83 110.7 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.27 -39.41 75.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.705 -0.225 . . . . 1.38 111.172 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.42 -48.8 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.532 0.682 . . . . 1.97 109.944 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 93.8 m -54.29 -60.08 3.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.373 -1.285 . . . . 0.83 111.112 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' 2059 ' ' GLN . 6.7 mp -59.92 -37.41 79.37 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.783 -0.644 . . . . 0.92 112.303 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.92 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.37 110.941 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.8 m -86.89 -36.44 18.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.916 -0.584 . . . . 0.42 109.459 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.7 tp -58.01 -62.15 2.03 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.433 -0.803 . . . . 0.37 111.19 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -55.45 -38.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.961 -0.563 . . . . 0.64 111.281 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.15 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.391 -0.368 . . . . 0.29 110.56 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.47 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.55 -34.13 75.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.103 0.477 . . . . 0.29 110.427 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.634 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.29 -55.43 28.36 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.519 -0.764 . . . . 0.34 110.442 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.444 ' OG1' HD11 ' A' 2094 ' ' ILE . 6.4 t -69.56 -31.44 69.62 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.282 0.563 . . . . 0.38 110.843 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.513 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.55 -20.83 61.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.916 -0.584 . . . . 0.54 110.753 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 98.3 m -82.59 -40.27 21.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.445 -0.343 . . . . 0.6 111.077 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -66.47 -40.63 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.466 0.65 . . . . 0.78 109.856 -177.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.232 -0.895 . . . . 1.24 111.885 179.432 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 62.6 m . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.498 -0.556 . . . . 1.52 109.498 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.47 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 53.9 Cg_exo -55.0 -29.25 63.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.385 2.723 . . . . 0.7 112.779 -175.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.08 -22.65 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 2.96 110.854 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 39.8 t -110.44 17.76 20.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.788 -0.642 . . . . 1.7 111.301 -172.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' 2072 ' ' ALA . 6.9 mt -87.26 118.39 33.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.033 -0.417 . . . . 0.76 110.393 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.405 ' HB2' ' OG1' ' A' 2087 ' ' THR . 44.7 m -75.77 132.48 74.68 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.42 111.646 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.543 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 58.3 Cg_endo -70.08 -31.23 19.47 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.636 2.891 . . . . 0.36 113.133 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.77 -13.86 60.64 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.167 -0.47 . . . . 0.47 111.601 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' 2084 ' ' SER . 8.2 m -79.28 157.81 27.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.293 0.568 . . . . 0.39 110.692 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -100.13 147.78 25.31 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.307 -0.861 . . . . 0.32 109.535 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 10.3 m-85 -62.3 -27.15 68.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.48 110.057 176.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -54.16 30.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 2.91 109.767 171.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.08 -40.94 74.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.848 -1.069 . . . . 1.88 111.492 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.47 -20.47 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.526 0.565 . . . . 0.73 112.526 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.48 10.94 6.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.19 -1.005 . . . . 0.27 113.841 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -73.96 122.35 26.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.206 0.526 . . . . 0.28 111.636 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2095 ' ' ASP . . . . . 0.456 ' HB2' HD12 ' A' 2097 ' ' LEU . 48.7 m-20 -105.89 -164.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.947 -0.76 . . . . 1.07 108.947 173.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 1.2 p -74.75 -37.62 62.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.21 0.529 . . . . 0.85 111.478 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.655 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.6 -40.83 63.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.437 -0.801 . . . . 1.65 110.689 -176.635 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -80.51 -15.2 57.28 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.904 -0.589 . . . . 0.27 112.154 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.3 -44.39 97.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.028 0.442 . . . . 0.29 110.22 173.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -70.05 -39.4 75.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.4 110.038 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -59.58 -40.97 89.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.143 -0.481 . . . . 0.72 111.526 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.52 HD23 ' HB1' ' A' 2070 ' ' ALA . 1.4 tt -60.37 -54.55 44.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.65 110.497 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.574 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.1 ptt-85 -63.66 -33.14 74.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.542 -0.54 . . . . 2.43 109.542 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.435 HD22 ' HA ' ' A' 2101 ' ' GLU . 93.0 m-20 -55.14 -52.28 63.77 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.072 0.463 . . . . 0.48 110.028 174.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 24.9 m -60.1 -51.84 67.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.582 -0.735 . . . . 0.51 111.623 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 2102 ' ' LEU . 2.7 pp -72.9 -22.37 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.739 -0.384 . . . . 1.13 111.939 -176.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 97.0 m -73.35 -41.79 63.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.896 0.379 . . . . 0.81 110.131 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.275 -0.42 . . . . 2.81 110.534 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -71.11 -50.14 36.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 2.6 110.839 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.547 HG21 HD12 ' A' 2132 ' ' LEU . 17.5 p -70.17 -38.51 75.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.868 -0.605 . . . . 1.03 111.652 -174.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 100.2 -29.15 12.81 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.816 -0.707 . . . . 1.05 112.481 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.69 -173.14 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 1.45 111.116 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 34.0 t70 -105.45 131.3 53.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.176 -0.466 . . . . 1.18 111.469 -173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.44 142.85 41.45 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 2.95 110.66 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -67.66 151.94 78.58 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.374 2.716 . . . . 1.1 113.451 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.574 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 57.0 Cg_endo -70.87 -2.71 11.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.125 2.55 . . . . 0.75 111.94 176.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.1 p -100.43 3.46 43.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.364 -0.834 . . . . 0.86 109.789 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.6 OUTLIER -40.05 -64.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.392 -1.276 . . . . 0.7 112.783 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' 2099 ' ' ALA . 34.9 mm -80.58 -8.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.5 110.589 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -80.22 -40.34 27.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.807 -0.633 . . . . 3.49 109.964 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -86.51 -44.09 12.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 2.0 111.953 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -130.22 63.35 68.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.71 111.983 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -81.43 104.4 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 CA-C-N 120.899 1.357 . . . . 0.43 111.393 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.21 144.88 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.983 -1.008 . . . . 0.5 108.693 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 37.8 Cg_exo -59.21 -58.65 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 121.748 1.632 . . . . 0.25 111.755 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.634 ' O ' ' HB ' ' A' 2129 ' ' THR . 78.4 t60 -63.38 -38.03 89.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.957 -0.565 . . . . 0.8 111.653 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.95 84.77 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.181 -0.208 . . . . 0.34 111.41 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' 2128 ' ' LEU . 21.5 mt -60.82 -37.35 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.836 -0.346 . . . . 0.64 110.399 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.634 ' HB ' ' O ' ' A' 2126 ' ' HIS . 96.3 m -53.17 -42.71 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.33 110.451 174.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 2126 ' ' HIS . 21.0 mt-30 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.393 -0.822 . . . . 2.22 110.017 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.624 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.7 t60 -58.94 -54.8 43.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 0.59 110.72 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.547 HD12 HG21 ' A' 2110 ' ' THR . 3.6 mm? -62.29 -34.6 76.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.623 . . . . 0.48 111.362 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -64.84 -45.25 86.92 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.67 109.03 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 17.5 m -64.77 -17.28 64.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.982 -0.554 . . . . 0.74 111.477 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.6 mmp_? . . . . . 0 C--N 1.323 -0.557 0 O-C-N 121.341 -0.849 . . . . 3.18 111.721 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.68 ' O ' HD13 ' A' 2063 ' ' LEU . 59.5 mt-30 . . . . . 0 N--CA 1.448 -0.571 0 N-CA-C 110.137 -0.32 . . . . 2.83 110.137 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.61 -41.38 73.38 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 113.059 0.763 . . . . 1.38 113.059 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -58.8 -38.45 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.533 . . . . 1.97 110.452 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' 2059 ' ' GLN . 73.3 m -60.87 -58.4 8.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.555 -0.748 . . . . 0.83 110.762 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' 2059 ' ' GLN . 6.2 mp -57.73 -40.21 79.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.815 . . . . 0.92 111.988 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.47 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.906 0.384 . . . . 0.37 110.793 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 28.2 m -83.73 -37.09 23.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 0.42 109.618 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.3 tp -58.34 -62.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.39 -0.823 . . . . 0.37 110.97 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' 2063 ' ' LEU . 7.0 p -55.2 -39.4 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.64 111.326 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' 2071 ' ' THR . . . -60.04 -57.79 11.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.29 110.471 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.01 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.29 111.076 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.612 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.92 -54.1 43.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.914 -0.585 . . . . 0.34 110.773 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.401 HG22 ' O ' ' A' 2068 ' ' ALA . 5.8 t -70.81 -24.49 62.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 0.38 110.117 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.511 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.79 -19.88 61.94 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.703 -1.135 . . . . 0.54 110.696 174.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 43.8 m -91.0 -37.41 13.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.6 111.312 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -71.57 -46.69 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.177 0.513 . . . . 0.78 109.833 -178.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.664 -0.698 . . . . 1.24 111.064 176.73 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' 2081 ' ' GLU . 19.1 m . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 107.888 -1.153 . . . . 1.52 107.888 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.02 -19.69 69.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.788 2.325 . . . . 0.7 111.786 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2081 ' ' GLU . . . . . 0.45 ' HB3' HG22 ' A' 2079 ' ' THR . 39.1 tt0 -61.05 -34.93 75.65 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.138 -0.937 . . . . 2.96 111.18 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -89.34 1.92 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.987 -0.551 . . . . 1.7 110.872 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' 2072 ' ' ALA . 31.0 mt -88.76 114.36 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.152 -0.477 . . . . 0.76 110.338 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.52 ' HB2' ' OG1' ' A' 2087 ' ' THR . 14.6 m -83.69 131.83 50.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.42 110.185 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.531 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 38.1 Cg_endo -63.6 -30.5 70.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.516 2.811 . . . . 0.36 113.446 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -91.36 0.73 57.47 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.658 0.614 . . . . 0.47 112.658 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' 2084 ' ' SER . 3.0 m -87.14 145.7 26.32 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.349 -0.54 . . . . 0.39 110.259 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -84.31 137.37 33.48 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.518 -0.764 . . . . 0.32 109.681 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.401 ' O ' ' HB ' ' A' 2094 ' ' ILE . 12.3 m-85 -53.37 -29.25 33.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.888 -0.596 . . . . 0.48 111.853 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -48.29 69.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.165 0.507 . . . . 2.91 109.891 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.61 -35.57 77.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.88 111.539 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.68 -22.1 64.4 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 121.116 -0.234 . . . . 0.73 111.484 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.41 9.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.114 -1.041 . . . . 0.27 112.572 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' 2089 ' ' PHE . 28.3 mm -64.22 124.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.873 0.368 . . . . 0.28 111.208 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -99.28 -165.51 1.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.046 -0.724 . . . . 1.07 109.046 173.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -19.77 54.48 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.662 -0.866 . . . . 0.85 108.662 171.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.734 ' O ' ' HG ' ' A' 2100 ' ' LEU . 27.5 mt -73.35 -60.15 2.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.269 -1.332 . . . . 1.65 110.727 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -8.02 54.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.831 -0.622 . . . . 0.27 111.88 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -67.26 -43.76 81.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.29 110.36 174.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -69.87 -37.22 76.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.748 -0.381 . . . . 0.4 110.087 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.56 ' N ' HD12 ' A' 2100 ' ' LEU . 7.6 mm-40 -59.6 -40.51 87.72 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.72 111.288 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.5 OUTLIER -61.4 -47.52 85.43 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.262 -0.426 . . . . 0.65 110.001 176.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' 2099 ' ' ALA . 25.5 mtm-85 -59.09 -46.05 89.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.738 -0.467 . . . . 2.43 109.738 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.409 HD22 ' HA ' ' A' 2101 ' ' GLU . 96.1 m-20 -50.39 -47.31 56.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.77 -0.65 . . . . 0.48 110.659 176.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 9.9 m -68.31 -46.25 70.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.612 -0.722 . . . . 0.51 110.743 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.2 mt -63.48 -45.51 90.43 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.154 -0.475 . . . . 1.13 111.34 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 26.3 m -56.52 -44.2 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.219 0.533 . . . . 0.81 110.87 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 82.7 t60 -68.22 -22.62 64.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.668 -0.696 . . . . 2.81 111.231 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -102.29 -13.05 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.374 0.509 . . . . 2.6 112.374 -174.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 49.9 p -103.38 -16.37 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.289 0.566 . . . . 1.03 111.072 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 90.32 -33.32 4.58 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.73 -0.668 . . . . 1.05 113.554 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' 2112 ' ' LEU . 0.3 OUTLIER -104.8 -178.65 3.72 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.237 0.541 . . . . 1.45 111.909 -178.249 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.25 156.59 31.34 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.944 -1.025 . . . . 1.18 110.949 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.5 tp -140.54 133.52 14.74 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.197 -0.456 . . . . 2.95 109.982 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.563 ' O ' ' HB2' ' A' 2118 ' ' LEU . 51.8 Cg_endo -70.23 149.8 64.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.019 2.479 . . . . 1.1 113.093 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.5 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 56.5 Cg_endo -70.92 -8.25 23.21 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.996 2.464 . . . . 0.75 112.431 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 9.9 p -100.24 4.72 44.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.111 -0.495 . . . . 0.86 110.384 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.32 -65.05 0.51 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.026 -0.988 . . . . 0.7 112.463 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.433 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 35.8 mm -77.39 -28.14 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.206 0.527 . . . . 0.5 110.311 -177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.27 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.724 -0.671 . . . . 3.49 110.582 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 7.3 t0 -82.67 -49.3 9.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.118 -0.946 . . . . 2.0 111.803 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.4 m80 -125.02 65.93 49.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.6 -0.44 . . . . 0.71 111.975 -170.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.38 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 CA-C-N 120.664 1.273 . . . . 0.43 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.71 143.97 0.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.35 -0.981 . . . . 0.5 108.35 172.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.531 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.2 Cg_exo -58.08 -59.13 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 121.715 1.61 . . . . 0.25 111.477 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.58 ' O ' ' HB ' ' A' 2129 ' ' THR . 70.4 t60 -66.13 -32.48 73.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.8 112.226 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.82 72.12 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.794 -0.363 . . . . 0.34 110.938 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' 2128 ' ' LEU . 29.2 mt -61.27 -36.22 79.44 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.911 -0.316 . . . . 0.64 110.246 171.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' 2126 ' ' HIS . 52.9 m -52.96 -37.19 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.33 110.68 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' 2126 ' ' HIS . 37.0 mt-30 -71.54 -45.4 62.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.525 -0.761 . . . . 2.22 110.124 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 63.5 t60 -66.07 -45.17 82.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.59 110.614 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' 2135 ' ' ARG . 3.2 mm? -73.18 -20.5 60.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.358 -0.383 . . . . 0.48 111.023 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -71.6 -29.88 65.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.415 -0.587 . . . . 0.67 109.415 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 25.9 m -69.56 -43.06 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.74 109.594 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.459 ' HG3' HD13 ' A' 2132 ' ' LEU . 26.4 mmm180 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 3.18 109.966 176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.548 ' O ' HD13 ' A' 2063 ' ' LEU . 50.5 mt-30 . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.543 0.211 . . . . 2.83 110.674 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -49.77 -43.11 48.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.047 0.758 . . . . 1.38 113.047 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.01 -36.95 75.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.994 -0.682 . . . . 1.97 110.931 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 55.2 m -58.61 -57.9 10.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.83 110.665 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.609 ' O ' HG12 ' A' 2067 ' ' VAL . 7.7 mp -57.55 -40.05 78.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.626 -0.715 . . . . 0.92 111.37 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.45 69.94 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.389 0.431 . . . . 0.37 110.753 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 67.7 m -79.16 -34.85 42.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.286 0.565 . . . . 0.42 109.546 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 14.1 tp -62.83 -64.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.37 110.807 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' 2063 ' ' LEU . 7.6 p -54.86 -39.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.64 111.355 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.58 -56.47 21.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.507 -0.315 . . . . 0.29 110.511 174.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.435 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -60.15 -34.43 73.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.899 0.38 . . . . 0.29 110.186 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.19 -56.18 23.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.479 -0.782 . . . . 0.34 110.782 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.477 ' OG1' HD11 ' A' 2094 ' ' ILE . 9.9 t -68.31 -29.66 68.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.205 0.526 . . . . 0.38 110.955 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.832 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -73.31 -19.11 61.11 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.638 -0.71 . . . . 0.54 110.779 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 39.5 m -84.99 -31.85 23.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.285 -0.416 . . . . 0.6 110.643 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -73.08 -37.71 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.437 0.637 . . . . 0.78 109.547 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.437 HD21 HD13 ' A' 2094 ' ' ILE . 74.6 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.314 -0.857 . . . . 1.24 111.257 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.426 ' O ' HG13 ' A' 2083 ' ' ILE . 28.1 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.369 -0.975 . . . . 1.52 108.369 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 17.1 Cg_exo -67.01 -16.57 49.81 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.37 2.047 . . . . 0.7 111.156 -175.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2081 ' ' GLU . . . . . 0.411 ' HB3' HG22 ' A' 2079 ' ' THR . 32.7 tt0 -68.2 -44.19 76.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.652 -1.158 . . . . 2.96 111.325 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 59.5 p -77.53 -18.27 57.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.7 110.932 -173.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.8 mt -67.93 97.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.046 -0.979 . . . . 0.76 110.495 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.511 ' HB2' ' OG1' ' A' 2087 ' ' THR . 15.6 m -79.17 131.67 65.44 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.645 -0.707 . . . . 0.42 111.03 -175.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.553 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 30.7 Cg_endo -62.22 -32.06 82.46 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.651 2.9 . . . . 0.36 113.16 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.93 -15.42 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.47 111.561 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.529 ' O ' HG22 ' A' 2124 ' ' THR . 2.6 m -84.92 148.95 25.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.186 0.517 . . . . 0.39 110.513 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.404 ' HA ' HG22 ' A' 2124 ' ' THR . . . -86.78 143.57 27.46 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.238 -0.892 . . . . 0.32 110.005 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.419 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 14.2 m-85 -52.79 -32.22 42.72 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.44 0.462 . . . . 0.48 110.824 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -49.67 -61.11 2.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.634 0.731 . . . . 2.91 110.503 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.492 ' HB2' HG22 ' A' 2087 ' ' THR . 12.6 m-20 -59.86 -34.69 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.307 -1.315 . . . . 1.88 111.868 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.8 OUTLIER -67.48 -22.17 65.48 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.048 -0.261 . . . . 0.73 111.652 179.558 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.71 -7.19 7.86 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.642 -0.79 . . . . 0.27 112.558 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.477 HD11 ' OG1' ' A' 2071 ' ' THR . 27.9 mm -63.09 126.61 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.28 112.036 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -103.91 -166.84 1.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.427 -0.953 . . . . 1.07 108.427 171.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -72.86 -31.57 64.83 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.69 0.757 . . . . 0.85 109.468 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' 2100 ' ' LEU . 21.9 mt -63.08 -59.87 4.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.593 -1.185 . . . . 1.65 110.785 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.429 ' HB ' HG23 ' A' 2074 ' ' VAL . 1.2 p -74.0 -9.86 59.06 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.247 -0.888 . . . . 0.27 112.626 -176.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.54 -41.86 97.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.428 . . . . 0.29 110.443 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -75.43 -34.25 60.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.238 -0.437 . . . . 0.4 110.771 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -61.36 -37.43 83.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.72 111.087 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' 2071 ' ' THR . 0.6 OUTLIER -63.9 -50.1 70.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.548 -0.538 . . . . 0.65 109.548 175.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.732 ' HG2' HD12 ' A' 2118 ' ' LEU . 42.2 mtm105 -54.05 -45.27 71.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.214 -0.903 . . . . 2.43 109.46 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -53.15 -49.69 66.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.519 -0.764 . . . . 0.48 111.111 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 34.9 m -63.56 -55.71 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 0.51 112.418 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' 2102 ' ' LEU . 1.9 pp -68.27 -20.3 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.808 -0.357 . . . . 1.13 111.913 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.551 ' OG1' ' HG ' ' A' 2114 ' ' LEU . 91.6 m -73.56 -33.03 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.059 0.457 . . . . 0.81 110.49 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.19 -18.74 61.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.312 0.577 . . . . 2.81 109.937 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -93.16 -21.19 19.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 2.6 111.491 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 9.7 p -103.34 -41.63 5.97 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.91 -0.316 . . . . 1.03 111.775 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.7 73.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 1.05 112.489 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.88 -171.07 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.802 0.334 . . . . 1.45 110.821 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -112.21 116.68 30.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.96 -0.564 . . . . 1.18 110.654 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' 2103 ' ' ARG . 0.0 OUTLIER -99.21 161.63 24.08 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.428 -0.806 . . . . 2.95 111.641 -170.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -91.85 147.56 3.22 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.795 2.997 . . . . 1.1 113.19 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.521 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 40.9 Cg_endo -68.91 -2.43 9.54 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.64 2.227 . . . . 0.75 111.892 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 6.4 p -95.38 -0.81 52.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.87 -0.605 . . . . 0.86 112.209 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.732 HD12 ' HG2' ' A' 2103 ' ' ARG . 4.9 mt -40.3 -70.41 0.1 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.954 0.724 . . . . 0.7 112.954 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 10.6 mm -83.22 -1.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.786 0.803 . . . . 0.5 110.208 -172.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.39 -49.17 7.11 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.41 -0.814 . . . . 3.49 110.064 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -98.14 -37.53 9.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 2.0 111.565 -173.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -120.29 44.2 0.66 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 118.828 -0.606 . . . . 0.71 112.544 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' 2124 ' ' THR . 63.8 Cg_endo -82.32 106.53 1.56 Allowed 'Trans proline' 0 N--CA 1.446 -1.31 0 CA-C-N 121.258 1.485 . . . . 0.43 113.09 -175.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.676 HG23 ' O ' ' A' 2123 ' ' PRO . 5.9 p -176.45 160.77 1.75 Allowed Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 105.026 -2.213 . . . . 0.5 105.026 163.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' 2067 ' ' VAL . 31.9 Cg_exo -56.74 -36.41 98.45 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 CA-C-N 120.583 1.244 . . . . 0.25 110.63 172.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 82.8 t60 -77.59 -50.58 12.24 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.709 -0.678 . . . . 0.8 112.339 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.748 0.308 . . . . 0.34 111.186 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.526 HD11 HD13 ' A' 2118 ' ' LEU . 6.0 tp -67.46 -39.25 85.33 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.811 0.339 . . . . 0.64 110.159 176.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' 2063 ' ' LEU . 32.9 m -54.64 -45.45 73.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.738 -0.664 . . . . 0.33 110.984 174.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' 2126 ' ' HIS . 7.2 mm100 -56.29 -45.76 80.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.774 -0.648 . . . . 2.22 111.203 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.42 -49.62 73.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.217 -0.447 . . . . 0.59 110.771 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.7 mm? -70.03 -24.44 63.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.016 -0.538 . . . . 0.48 111.397 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -70.72 -36.33 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.67 109.476 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -29.94 68.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.68 -0.691 . . . . 0.74 109.932 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.433 ' HG3' HD13 ' A' 2132 ' ' LEU . 7.9 mmm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 3.18 110.591 175.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.67 ' O ' HD13 ' A' 2063 ' ' LEU . 8.2 mm100 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 120.012 -0.042 . . . . 2.83 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -58.91 -42.28 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.657 -0.417 . . . . 1.38 111.866 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.4 -39.55 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.121 -0.632 . . . . 1.97 110.275 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 90.4 m -56.46 -60.27 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.674 . . . . 0.83 110.813 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.67 HD13 ' O ' ' A' 2059 ' ' GLN . 5.2 mp -59.37 -37.55 78.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.818 -0.628 . . . . 0.92 112.216 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.8 -32.43 74.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.117 0.484 . . . . 0.37 110.739 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 29.4 m -82.75 -34.64 27.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.272 -0.64 . . . . 0.42 109.272 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 12.7 tp -57.67 -60.83 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.36 -0.836 . . . . 0.37 110.801 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.503 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.2 p -55.48 -42.22 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.951 -0.568 . . . . 0.64 111.399 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.9 61.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.322 -0.399 . . . . 0.29 110.737 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.493 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.99 -29.37 70.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.766 0.317 . . . . 0.29 110.532 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.691 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.3 -62.52 1.63 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.581 -0.525 . . . . 0.34 109.581 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.522 ' HB ' HD11 ' A' 2102 ' ' LEU . 12.1 t -64.36 -34.27 77.77 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.295 0.569 . . . . 0.38 110.946 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -66.85 -27.6 67.67 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.627 -0.715 . . . . 0.54 110.957 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 52.9 m -90.81 -34.19 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.059 0.392 . . . . 0.6 112.059 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.35 -35.44 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.882 -0.784 . . . . 0.78 108.882 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.496 HD23 HG21 ' A' 2098 ' ' THR . 60.9 mt . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 114.353 -1.294 . . . . 1.24 111.102 173.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.706 -0.479 . . . . 1.52 109.706 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.493 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 61.6 Cg_exo -53.92 -34.23 75.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.412 2.741 . . . . 0.7 112.762 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.52 -25.65 67.42 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.147 -0.479 . . . . 2.96 111.109 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 17.2 t -102.07 19.24 18.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.138 -0.483 . . . . 1.7 111.023 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.8 mt -89.56 117.74 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.116 0.484 . . . . 0.76 110.569 175.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.8 m -75.74 131.33 76.9 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.42 111.26 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.487 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.2 Cg_endo -66.16 -30.58 46.38 Favored 'Trans proline' 0 N--CA 1.471 0.183 0 C-N-CA 123.79 2.993 . . . . 0.36 113.918 -172.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.46 -3.42 57.67 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.766 0.654 . . . . 0.47 112.766 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.4 m -84.37 150.49 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.632 0.73 . . . . 0.39 111.048 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.29 136.03 33.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.968 -1.015 . . . . 0.32 109.457 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 29.8 m-85 -52.47 -29.7 26.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.48 111.979 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' 2091 ' ' ASP . 9.9 ttpt -51.08 -57.8 7.74 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.465 0.478 . . . . 2.91 110.849 172.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.413 ' N ' ' HG2' ' A' 2090 ' ' LYS . 16.6 t70 -54.26 -39.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 1.88 112.095 177.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.0 OUTLIER -69.01 -21.16 64.15 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.712 0.264 . . . . 0.73 111.712 -178.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.12 6.41 5.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.716 -0.754 . . . . 0.27 112.657 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.502 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 46.1 mm -84.09 138.86 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.959 0.409 . . . . 0.28 111.828 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2095 ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' A' 2096 ' ' SER . 26.8 t0 -139.32 -163.51 1.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.462 -0.94 . . . . 1.07 108.462 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2096 ' ' SER . . . . . 0.47 ' H ' ' CG ' ' A' 2095 ' ' ASP . 0.2 OUTLIER -55.24 -36.86 66.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.35 0.595 . . . . 0.85 111.763 -175.234 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.707 ' O ' ' HG ' ' A' 2100 ' ' LEU . 15.9 tp -63.87 -60.27 3.49 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.819 -1.082 . . . . 1.65 111.78 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.496 HG21 HD23 ' A' 2075 ' ' LEU . 8.3 p -82.17 -12.26 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.94 -0.573 . . . . 0.27 112.372 -174.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' 2119 ' ' ILE . . . -60.78 -37.54 82.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.922 0.392 . . . . 0.29 110.054 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -76.2 -38.62 56.26 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.429 -0.508 . . . . 0.4 110.057 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.418 ' N ' HD12 ' A' 2100 ' ' LEU . 5.7 mm-40 -63.75 -43.78 95.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.9 0.381 . . . . 0.72 111.168 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.522 HD11 ' HB ' ' A' 2071 ' ' THR . 1.3 tt -56.65 -55.78 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.054 -0.521 . . . . 0.65 110.135 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -53.33 -43.96 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.877 -0.601 . . . . 2.43 110.943 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.4 m-20 -51.14 -51.22 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.48 110.656 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.1 m -62.1 -44.62 96.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.51 110.6 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' 2102 ' ' LEU . 82.2 mt -60.46 -40.75 92.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 1.13 110.684 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.8 m -65.3 -45.77 83.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.355 -0.839 . . . . 0.81 110.969 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 39.7 m170 -72.97 -24.0 60.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.858 -0.61 . . . . 2.81 111.712 -174.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2109 ' ' ASN . . . . . 0.43 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.2 t30 -69.13 -46.3 67.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 2.6 111.289 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 1.4 p -88.29 -39.78 14.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.101 0.408 . . . . 1.03 112.101 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 113.0 -13.58 24.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.44 -0.886 . . . . 1.05 112.447 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' 2112 ' ' LEU . 1.2 pp -78.02 -170.07 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.614 0.245 . . . . 1.45 110.565 177.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -122.65 133.42 54.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 1.18 110.054 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.31 140.93 24.21 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.876 0.369 . . . . 2.95 111.304 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.562 ' O ' ' HB2' ' A' 2118 ' ' LEU . 37.2 Cg_endo -67.88 147.96 75.66 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.176 2.584 . . . . 1.1 112.135 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.51 -8.82 11.66 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.204 2.603 . . . . 0.75 112.456 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2117 ' ' THR . . . . . 0.518 ' HB ' ' OD2' ' A' 2121 ' ' ASP . 2.8 p -96.63 3.89 52.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.629 . . . . 0.86 110.549 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -44.07 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.7 112.083 176.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' 2099 ' ' ALA . 41.7 mm -76.31 -19.36 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.681 0.753 . . . . 0.5 109.777 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2120 ' ' PHE . . . . . 0.428 ' HB3' ' HA ' ' A' 2117 ' ' THR . 26.9 t80 -63.11 -48.37 78.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.858 -1.065 . . . . 3.49 110.154 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2121 ' ' ASP . . . . . 0.518 ' OD2' ' HB ' ' A' 2117 ' ' THR . 6.0 m-20 -87.45 -42.68 12.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 2.0 112.531 -175.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -124.98 62.79 37.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 120.113 -0.635 . . . . 0.71 112.146 -170.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -81.82 104.76 1.46 Allowed 'Trans proline' 0 N--CA 1.442 -1.503 0 CA-C-N 120.512 1.218 . . . . 0.43 111.119 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.63 142.58 0.48 Allowed Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 124.487 1.115 . . . . 0.5 108.348 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' 2085 ' ' PRO . 40.1 Cg_exo -57.69 -54.65 3.1 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.737 1.625 . . . . 0.25 111.902 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.509 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.4 t60 -66.91 -38.31 85.99 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.159 -0.473 . . . . 0.8 111.581 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.6 91.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.37 -0.377 . . . . 0.34 111.261 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.64 110.704 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' 2126 ' ' HIS . 97.3 m -55.37 -51.13 67.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.186 0.517 . . . . 0.33 110.392 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.27 -39.7 94.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.32 -0.855 . . . . 2.22 110.532 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' 2135 ' ' ARG . 48.6 t-80 -60.32 -59.97 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.59 110.383 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.51 -31.48 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.48 111.292 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.84 -52.6 49.08 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.692 -0.484 . . . . 0.67 109.692 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 30.1 m -56.67 -40.75 76.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.74 111.295 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.692 ' HG2' ' O ' ' A' 2131 ' ' HIS . 1.8 mmp_? . . . . . 0 C--N 1.33 -0.279 0 N-CA-C 112.404 0.52 . . . . 3.18 112.404 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.487 ' O ' HD13 ' A' 2063 ' ' LEU . 5.5 mm100 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 111.441 0.163 . . . . 2.83 111.441 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.72 -18.41 42.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.865 0.32 . . . . 1.38 111.865 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -81.57 -60.37 2.28 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.167 -0.679 . . . . 1.97 109.167 172.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 96.9 m -47.43 -57.67 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.189 -1.368 . . . . 0.83 111.518 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' 2067 ' ' VAL . 2.7 mp -59.82 -46.86 87.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.92 111.786 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -59.25 -32.69 70.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.851 0.358 . . . . 0.37 111.312 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 6.4 m -82.69 -37.49 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.349 -0.612 . . . . 0.42 109.349 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.67 -63.76 1.19 Allowed 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.062 -0.972 . . . . 0.37 111.042 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -50.89 -41.34 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.64 111.311 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.07 6.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.785 -0.643 . . . . 0.29 111.086 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.711 0.291 . . . . 0.29 111.329 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' 2074 ' ' VAL . . . -66.54 -52.78 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.34 110.44 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.453 ' OG1' HD11 ' A' 2094 ' ' ILE . 14.5 t -71.39 -28.3 63.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.912 0.863 . . . . 0.38 109.924 -175.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -68.25 -16.97 64.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.545 -1.207 . . . . 0.54 110.67 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 40.9 m -90.77 -35.24 14.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.408 -0.36 . . . . 0.6 111.185 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -75.42 -37.06 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.51 0.671 . . . . 0.78 110.194 -177.368 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.491 HD21 HD13 ' A' 2094 ' ' ILE . 62.8 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.205 -0.907 . . . . 1.24 111.48 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 108.117 -1.068 . . . . 1.52 108.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.8 -15.06 36.75 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 122.507 2.138 . . . . 0.7 110.643 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.2 -33.88 77.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.151 -1.386 . . . . 2.96 110.658 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 30.3 t -85.36 -5.2 59.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.044 -0.98 . . . . 1.7 110.707 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.434 HD13 ' CG2' ' A' 2071 ' ' THR . 29.2 mt -86.67 94.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.185 0.517 . . . . 0.76 110.06 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.432 ' HB2' ' OG1' ' A' 2087 ' ' THR . 17.3 m -79.09 135.83 58.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.557 -0.747 . . . . 0.42 110.853 -176.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.46 -29.7 44.71 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.629 2.886 . . . . 0.36 113.522 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.46 -19.08 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.424 -0.353 . . . . 0.47 111.454 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.9 m -80.5 156.39 26.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.296 0.57 . . . . 0.39 110.603 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.48 ' O ' HD22 ' A' 2092 ' ' LEU . . . -95.02 146.33 24.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.613 -0.721 . . . . 0.32 110.481 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.527 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 19.6 m-85 -55.71 -28.55 56.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.48 111.051 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -47.01 -62.77 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.955 0.883 . . . . 2.91 110.566 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.12 -28.14 67.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.025 -1.443 . . . . 1.88 111.909 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' 2088 ' ' ALA . 0.1 OUTLIER -73.36 -21.48 60.52 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.967 -0.293 . . . . 0.73 111.706 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.57 2.78 8.04 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.096 -1.049 . . . . 0.27 113.523 174.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 23.9 mm -73.83 128.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.068 0.461 . . . . 0.28 112.215 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -112.31 -164.2 0.9 Allowed 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.51 -0.922 . . . . 1.07 108.51 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -33.83 66.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.007 -0.677 . . . . 0.85 110.579 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' 2100 ' ' LEU . 14.1 mt -62.29 -48.17 81.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.37 -0.832 . . . . 1.65 110.336 -177.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.0 p -86.81 -11.64 50.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.059 -0.973 . . . . 0.27 112.229 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' 2119 ' ' ILE . . . -64.11 -41.45 97.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.071 0.462 . . . . 0.29 109.83 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' 2101 ' ' GLU . 3.7 pp -73.27 -39.06 65.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.193 -0.458 . . . . 0.4 110.24 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.479 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -60.37 -42.75 96.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.967 0.413 . . . . 0.72 111.345 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.8 tp -62.57 -50.67 70.38 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 116.011 -0.541 . . . . 0.65 110.67 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.426 ' HD2' ' O ' ' A' 2115 ' ' PRO . 37.8 ttp180 -57.99 -40.62 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.058 -0.519 . . . . 2.43 110.739 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.459 HD22 ' HA ' ' A' 2101 ' ' GLU . 80.5 m-20 -50.52 -49.42 55.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.072 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2105 ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' 2109 ' ' ASN . 18.0 m -68.25 -45.21 73.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.51 110.371 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.6 mt -57.37 -43.83 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 1.13 111.217 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' 2114 ' ' LEU . 27.5 m -64.58 -46.78 81.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.81 111.004 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 83.4 t60 -72.74 -33.12 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 2.81 111.373 -176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2109 ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' 2105 ' ' THR . 2.7 t-20 -72.11 -35.67 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 2.6 111.068 -175.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 22.6 p -88.78 -39.82 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.479 -0.328 . . . . 1.03 111.385 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 111.01 -26.95 11.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.63 -0.795 . . . . 1.05 112.261 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' 2135 ' ' ARG . 95.4 mt -77.25 -175.15 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.316 0.579 . . . . 1.45 111.311 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -112.27 124.62 52.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.329 -0.851 . . . . 1.18 110.885 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.483 HD11 HD11 ' A' 2132 ' ' LEU . 2.6 mp -106.23 138.56 19.73 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.836 -0.62 . . . . 2.95 110.907 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.524 ' O ' ' HB2' ' A' 2118 ' ' LEU . 19.3 Cg_endo -65.56 145.77 82.96 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.043 2.495 . . . . 1.1 111.552 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.23 -13.77 25.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.038 2.492 . . . . 0.75 112.672 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.7 p -100.51 5.73 44.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.458 -0.337 . . . . 0.86 111.399 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.7 tm? -36.19 -67.09 0.18 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.7 113.114 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' 2099 ' ' ALA . 30.3 mm -74.73 -17.94 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.5 110.493 -177.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -74.86 -41.64 59.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.635 -0.711 . . . . 3.49 110.336 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.66 -46.54 15.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 2.0 111.604 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.17 65.84 58.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 C-N-CA 120.798 -0.361 . . . . 0.71 111.494 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -80.59 104.96 1.65 Allowed 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-N 120.398 1.178 . . . . 0.43 110.958 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.02 146.27 0.66 Allowed Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 114.779 -1.101 . . . . 0.5 108.816 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.29 -57.06 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 121.838 1.692 . . . . 0.25 112.545 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.596 ' O ' ' HB ' ' A' 2129 ' ' THR . 83.1 t60 -71.34 -36.07 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.332 . . . . 0.8 111.514 -175.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.11 94.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.595 -0.275 . . . . 0.34 111.343 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.27 -39.06 78.22 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.6 0.238 . . . . 0.64 110.612 173.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -53.58 -47.22 70.31 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.33 110.596 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.712 -0.676 . . . . 2.22 111.486 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.464 ' O ' ' HG2' ' A' 2135 ' ' ARG . 45.7 t60 -59.47 -56.85 16.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.924 0.393 . . . . 0.59 110.407 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.483 HD11 HD11 ' A' 2114 ' ' LEU . 3.7 mm? -64.24 -30.61 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.48 110.978 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.28 -42.99 99.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.67 110.151 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 23.9 m -70.17 -35.09 73.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.301 -0.409 . . . . 0.74 110.486 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.2 mmp_? . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.184 -0.462 . . . . 3.18 111.895 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.632 ' O ' HD13 ' A' 2063 ' ' LEU . 77.1 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.549 -0.167 . . . . 2.83 110.549 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -47.67 -38.21 14.51 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.485 0.55 . . . . 1.38 112.485 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -64.65 -57.33 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.25 0.547 . . . . 1.97 110.43 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 33.9 m -55.31 -53.85 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.242 -0.89 . . . . 0.83 111.256 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -57.76 -41.6 82.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.239 0.615 . . . . 0.92 112.052 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.65 71.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.161 0.505 . . . . 0.37 110.909 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 14.0 m -87.61 -33.97 18.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.42 109.741 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.75 -63.75 1.14 Allowed 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.421 -0.809 . . . . 0.37 110.793 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 2063 ' ' LEU . 5.9 p -54.76 -39.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.072 -0.513 . . . . 0.64 111.215 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.511 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -60.55 -52.08 66.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.29 110.943 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.18 -27.45 64.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.389 . . . . 0.29 110.986 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' 2074 ' ' VAL . . . -65.65 -55.36 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.34 110.6 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.49 ' CG2' HD12 ' A' 2083 ' ' ILE . 7.3 t -65.74 -27.42 68.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.444 0.64 . . . . 0.38 110.242 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -75.57 -19.64 59.15 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.028 -0.987 . . . . 0.54 110.733 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.7 m -83.08 -40.08 20.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.205 -0.452 . . . . 0.6 110.706 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.41 -40.33 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.78 110.01 -177.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.678 -0.692 . . . . 1.24 111.024 177.51 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' 2081 ' ' GLU . 10.6 m . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 108.209 -1.034 . . . . 1.52 108.209 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.446 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 36.8 Cg_exo -62.29 -19.17 66.11 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.175 2.584 . . . . 0.7 111.988 -173.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2081 ' ' GLU . . . . . 0.437 ' HB3' HG22 ' A' 2079 ' ' THR . 31.7 tt0 -63.33 -27.97 69.68 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 115.272 -0.876 . . . . 2.96 111.084 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 29.1 t -94.64 -0.53 54.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.838 -0.619 . . . . 1.7 111.137 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.627 HD11 ' HB2' ' A' 2072 ' ' ALA . 6.2 mm -78.91 100.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 110.082 -0.34 . . . . 0.76 110.082 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -78.78 123.89 85.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.179 0.514 . . . . 0.42 110.837 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.86 -33.57 63.83 Favored 'Trans proline' 0 N--CA 1.472 0.209 0 C-N-CA 123.629 2.886 . . . . 0.36 113.533 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.0 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.389 -0.369 . . . . 0.47 111.824 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.2 m -78.22 152.49 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.238 0.542 . . . . 0.39 110.707 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -91.31 141.69 28.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.543 -0.753 . . . . 0.32 109.528 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.431 ' O ' ' HB ' ' A' 2094 ' ' ILE . 13.1 m-85 -55.24 -28.57 54.21 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.136 0.272 . . . . 0.48 111.504 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -57.87 -33.87 69.16 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.37 0.605 . . . . 2.91 110.844 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -90.23 -29.13 18.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.219 -0.9 . . . . 1.88 111.192 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.7 OUTLIER -65.33 -22.26 66.8 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.079 -0.248 . . . . 0.73 111.502 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.92 -1.48 8.47 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.293 -0.956 . . . . 0.27 111.793 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' 2089 ' ' PHE . 33.2 mm -70.88 126.7 31.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.966 0.412 . . . . 0.28 111.577 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -107.78 -170.25 1.66 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.78 -1.193 . . . . 1.07 107.78 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -21.83 60.09 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.447 -1.301 . . . . 0.85 109.451 175.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' 2100 ' ' LEU . 28.2 mt -64.52 -55.36 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.866 -1.061 . . . . 1.65 110.111 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.61 -12.32 58.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.356 -0.838 . . . . 0.27 112.05 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.84 -42.86 99.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 0.29 110.541 175.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' 2101 ' ' GLU . 3.6 pp -71.69 -38.48 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 0.4 110.33 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.559 ' N ' HD12 ' A' 2100 ' ' LEU . 6.2 mm-40 -59.14 -39.47 82.48 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.111 0.482 . . . . 0.72 110.688 176.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.6 OUTLIER -62.26 -49.86 74.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.095 -0.502 . . . . 0.65 110.404 176.562 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' 2099 ' ' ALA . 15.7 mtm180 -55.75 -43.4 76.61 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.226 0.536 . . . . 2.43 109.621 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.434 HD22 ' HA ' ' A' 2101 ' ' GLU . 96.0 m-20 -54.59 -42.33 70.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.966 -1.015 . . . . 0.48 111.355 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.6 m -75.56 -43.32 49.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.316 -0.402 . . . . 0.51 111.12 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' 2102 ' ' LEU . 81.0 mt -59.52 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.452 . . . . 1.13 110.837 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.626 HG23 ' O ' ' A' 2112 ' ' LEU . 12.4 m -66.18 -39.62 89.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.68 -0.691 . . . . 0.81 110.69 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -60.92 -29.19 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.832 -0.622 . . . . 2.81 111.095 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -85.11 -41.9 15.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.113 0.482 . . . . 2.6 111.097 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 67.6 p -89.51 -31.23 17.74 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.838 0.681 . . . . 1.03 112.838 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.09 0.66 89.19 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.324 -0.71 . . . . 1.05 111.324 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' 2107 ' ' THR . 23.1 mt -87.74 120.46 29.08 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.815 0.446 . . . . 1.45 110.959 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -54.01 142.23 25.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.638 -0.71 . . . . 1.18 110.538 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.495 HD22 ' C ' ' A' 2114 ' ' LEU . 0.0 OUTLIER -131.15 156.69 79.78 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.209 0.448 . . . . 2.95 112.209 -172.366 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' 2118 ' ' LEU . 40.6 Cg_endo -94.36 149.73 1.96 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.374 3.383 . . . . 1.1 112.433 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.06 -7.89 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.721 2.28 . . . . 0.75 112.167 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2117 ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' 2120 ' ' PHE . 3.7 p -100.9 4.42 42.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.433 -0.803 . . . . 0.86 110.583 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.8 -66.53 0.36 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.522 -0.763 . . . . 0.7 112.144 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.28 -21.27 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.45 0.643 . . . . 0.5 110.189 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2120 ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' 2117 ' ' THR . 9.3 t80 -60.52 -50.0 75.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.294 -0.866 . . . . 3.49 110.2 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.33 -45.0 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 2.0 112.077 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -125.93 68.43 63.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 C-N-CA 120.527 -0.469 . . . . 0.71 111.901 -171.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.61 103.87 1.41 Allowed 'Trans proline' 0 N--CA 1.442 -1.55 0 CA-C-N 120.604 1.251 . . . . 0.43 110.201 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.17 142.63 0.45 Allowed Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.991 -1.004 . . . . 0.5 108.949 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.425 ' O ' HG11 ' A' 2067 ' ' VAL . 34.9 Cg_exo -61.38 -56.43 0.86 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 121.683 1.588 . . . . 0.25 111.664 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2126 ' ' HIS . . . . . . . . . . . . . 78.0 t60 -61.39 -41.92 97.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.8 112.218 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.4 75.99 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.825 0.306 . . . . 0.34 111.825 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' 2128 ' ' LEU . 26.6 mt -63.74 -33.79 76.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.766 -0.374 . . . . 0.64 110.85 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.408 HG23 ' CB ' ' A' 2063 ' ' LEU . 66.0 m -54.62 -44.26 72.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.33 109.757 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -66.82 -45.01 79.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.961 -1.018 . . . . 2.22 110.382 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -61.26 -51.22 69.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.59 110.858 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 2112 ' ' LEU . 4.1 mm? -68.19 -28.28 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.829 -0.348 . . . . 0.48 110.617 -178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -67.9 -31.35 71.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.116 0.484 . . . . 0.67 110.628 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 23.8 m -69.57 -24.29 63.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.74 110.446 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.54 ' HB3' HD22 ' A' 2112 ' ' LEU . 10.8 mmm180 . . . . . 0 CA--C 1.531 0.246 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.692 -174.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.638 ' O ' HD13 ' A' 2063 ' ' LEU . 48.5 mt-30 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 109.434 -0.58 . . . . 2.83 109.434 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.07 -48.42 70.63 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.503 0.557 . . . . 1.38 112.503 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -61.7 -36.78 81.9 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.007 -0.677 . . . . 1.97 110.547 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 97.2 m -59.29 -60.35 4.0 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 0.83 110.732 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' 2059 ' ' GLN . 7.4 mp -57.69 -34.6 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.92 112.243 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.37 65.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.37 110.797 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 25.9 m -85.28 -35.67 21.36 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.014 -0.736 . . . . 0.42 109.014 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 16.8 tp -56.95 -61.74 2.23 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.065 -0.971 . . . . 0.37 110.671 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -56.24 -39.51 60.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.146 -0.479 . . . . 0.64 111.561 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.27 -55.34 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 0.29 110.447 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.58 68.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.368 . . . . 0.29 110.609 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.69 -51.75 63.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.032 -0.531 . . . . 0.34 110.591 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.523 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.1 t -74.73 -22.36 58.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.405 0.621 . . . . 0.38 110.167 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -72.61 -20.03 61.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.261 -0.881 . . . . 0.54 110.396 173.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.1 m -84.43 -31.11 24.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 0.6 110.542 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -78.26 -45.01 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.05 0.452 . . . . 0.78 109.83 -179.066 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.6 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.818 -0.628 . . . . 1.24 110.576 176.713 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.0 -0.741 . . . . 1.52 109.0 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.478 ' HA ' HD12 ' A' 2083 ' ' ILE . 18.8 Cg_exo -67.01 -19.21 51.97 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.511 2.141 . . . . 0.7 111.436 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.39 -50.25 31.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.981 -1.008 . . . . 2.96 112.472 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.4 t -99.33 13.65 32.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 1.7 111.627 -171.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.523 HD13 ' CG2' ' A' 2071 ' ' THR . 25.5 mt -86.28 93.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 0.76 110.07 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 41.1 m -72.26 133.91 83.05 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.653 -0.703 . . . . 0.42 111.054 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 52.8 Cg_endo -66.91 -32.05 36.75 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 123.609 2.872 . . . . 0.36 113.782 -172.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.34 -3.13 58.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.1 0.408 . . . . 0.47 112.1 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.8 m -84.91 151.63 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.156 0.503 . . . . 0.39 110.216 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -88.32 139.49 30.44 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.414 -0.812 . . . . 0.32 109.75 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.436 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 17.0 m-85 -58.15 -23.67 56.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.612 -0.267 . . . . 0.48 111.094 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -47.01 -61.21 1.98 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.87 0.843 . . . . 2.91 110.154 167.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.34 -29.86 69.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.127 -1.397 . . . . 1.88 111.588 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -22.78 62.89 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.808 -0.357 . . . . 0.73 111.903 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.13 11.76 8.05 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.108 -1.044 . . . . 0.27 113.007 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.483 HD11 ' OG1' ' A' 2071 ' ' THR . 26.9 mm -80.44 128.89 38.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.479 . . . . 0.28 111.976 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -110.99 -165.87 1.03 Allowed 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.528 -0.916 . . . . 1.07 108.528 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.11 -39.95 75.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.46 0.647 . . . . 0.85 110.119 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' 2100 ' ' LEU . 37.6 tp -55.97 -53.82 52.26 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.523 -1.217 . . . . 1.65 111.357 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.3 p -81.79 -13.58 57.52 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.958 -0.565 . . . . 0.27 112.159 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.18 -45.72 90.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 0.29 109.897 174.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -71.26 -36.23 71.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.4 110.621 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' 2100 ' ' LEU . 9.1 mm-40 -60.41 -42.68 96.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.013 0.435 . . . . 0.72 111.367 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.0 OUTLIER -60.14 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.608 -0.516 . . . . 0.65 109.608 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -54.61 -40.63 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.538 -0.755 . . . . 2.43 111.08 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -53.54 -50.07 66.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.48 110.859 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.5 m -66.44 -42.04 88.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.51 110.934 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.507 HD11 HD13 ' A' 2128 ' ' LEU . 93.1 mt -63.14 -45.92 89.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.049 -0.523 . . . . 1.13 110.836 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.428 HG23 ' O ' ' A' 2112 ' ' LEU . 99.7 m -61.38 -48.67 80.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.267 -0.879 . . . . 0.81 110.808 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -68.24 -27.6 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.81 111.129 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -72.65 -40.83 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 2.6 110.923 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.6 p -85.38 -41.38 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.308 -0.406 . . . . 1.03 111.666 -175.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.46 -20.12 37.99 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.669 -0.777 . . . . 1.05 112.823 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' 2107 ' ' THR . 2.3 pp -86.27 -175.87 5.68 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.754 0.311 . . . . 1.45 110.499 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -106.06 138.69 41.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.182 -0.463 . . . . 1.18 110.845 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.503 HD11 HD11 ' A' 2132 ' ' LEU . 91.9 mt -121.38 139.61 29.96 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.615 -0.72 . . . . 2.95 110.105 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.506 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.7 Cg_endo -63.24 147.17 94.11 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.875 2.383 . . . . 1.1 111.75 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -62.15 -8.77 12.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.057 2.505 . . . . 0.75 112.358 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 5.6 p -100.95 3.38 41.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 0.86 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.6 tm? -36.71 -65.65 0.27 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.047 0.939 . . . . 0.7 112.709 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' 2099 ' ' ALA . 33.4 mm -76.56 -21.4 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.255 0.55 . . . . 0.5 110.741 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -69.66 -35.59 75.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.595 . . . . 3.49 110.195 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.45 -43.48 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 2.0 112.128 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -125.45 64.73 48.77 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-O 119.228 -0.415 . . . . 0.71 111.676 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -81.88 104.63 1.44 Allowed 'Trans proline' 0 N--CA 1.444 -1.417 0 CA-C-N 120.623 1.258 . . . . 0.43 110.953 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.7 138.39 0.4 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 114.797 -1.092 . . . . 0.5 108.501 171.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.51 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.7 Cg_exo -56.36 -57.24 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 121.835 1.69 . . . . 0.25 112.104 -175.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.619 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.0 t60 -67.55 -34.07 76.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.8 111.54 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.11 85.46 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.758 0.313 . . . . 0.34 110.957 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.507 HD13 HD11 ' A' 2106 ' ' LEU . 47.5 mt -60.06 -37.2 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.64 110.3 172.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.619 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -54.4 -44.25 72.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.33 110.409 174.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' 2126 ' ' HIS . 19.8 mt-30 -67.06 -47.41 71.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 2.22 109.815 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -58.61 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.936 -0.575 . . . . 0.59 110.907 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.503 HD11 HD11 ' A' 2114 ' ' LEU . 3.7 mm? -65.4 -28.63 69.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.037 -0.529 . . . . 0.48 111.252 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.84 -31.09 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.576 -0.45 . . . . 0.67 109.987 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 65.8 m -70.31 -41.03 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.74 109.95 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 121.97 0.891 . . . . 3.18 109.231 172.904 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.683 ' O ' HD13 ' A' 2063 ' ' LEU . 6.5 mm100 . . . . . 0 C--O 1.219 -0.506 0 N-CA-C 111.452 0.167 . . . . 2.83 111.452 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -57.47 -43.92 84.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.663 -0.415 . . . . 1.38 111.994 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.38 -39.29 88.98 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.276 -0.57 . . . . 1.97 110.441 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.1 m -57.89 -59.8 4.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.83 110.881 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -59.34 -37.73 78.57 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.232 0.613 . . . . 0.92 112.376 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.14 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.123 0.487 . . . . 0.37 110.735 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.2 m -86.39 -35.43 19.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 0.42 109.357 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 11.9 tp -58.88 -62.93 1.5 Allowed 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.303 -0.862 . . . . 0.37 111.034 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' 2063 ' ' LEU . 7.6 p -53.43 -41.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 123.289 0.368 . . . . 0.64 111.525 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' 2071 ' ' THR . . . -61.44 -55.07 35.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.406 . . . . 0.29 110.997 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.34 -36.48 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 0.29 110.477 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.681 ' O ' HG13 ' A' 2074 ' ' VAL . . . -58.17 -56.91 15.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.511 -0.768 . . . . 0.34 110.157 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.546 ' HB ' HD11 ' A' 2102 ' ' LEU . 8.7 t -65.08 -34.82 79.33 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.188 0.518 . . . . 0.38 110.821 -174.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.738 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -73.32 -20.12 60.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.038 -0.528 . . . . 0.54 111.053 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 85.5 m -86.48 -40.45 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.246 0.341 . . . . 0.6 111.619 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -64.06 -34.88 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.59 0.71 . . . . 0.78 109.23 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 114.974 -1.012 . . . . 1.24 111.326 174.838 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 45.2 m . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 108.548 -0.908 . . . . 1.52 108.548 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.425 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 37.2 Cg_exo -59.08 -23.43 68.85 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.815 2.343 . . . . 0.7 112.851 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.32 -28.6 68.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.245 0.545 . . . . 2.96 110.364 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 46.9 t -81.18 -16.47 52.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.376 -0.829 . . . . 1.7 110.991 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' 2072 ' ' ALA . 22.0 mt -68.91 118.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.391 -0.822 . . . . 0.76 111.181 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.433 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.5 m -81.78 131.25 58.0 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.716 -0.675 . . . . 0.42 110.875 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.528 ' O ' ' HD2' ' A' 2125 ' ' PRO . 50.6 Cg_endo -64.77 -27.3 59.89 Favored 'Trans proline' 0 N--CA 1.472 0.226 0 C-N-CA 123.74 2.96 . . . . 0.36 113.647 -175.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.68 7.39 39.68 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.917 0.71 . . . . 0.47 112.917 -177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.7 m -95.02 150.2 20.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.504 0.668 . . . . 0.39 111.573 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.17 135.25 34.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.125 -0.943 . . . . 0.32 109.683 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.519 ' HA ' HD23 ' A' 2092 ' ' LEU . 24.7 m-85 -53.07 -29.99 33.49 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.218 0.821 . . . . 0.48 113.218 -177.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2090 ' ' LYS . . . . . 0.658 ' HD2' ' H ' ' A' 2090 ' ' LYS . 0.0 OUTLIER -56.44 -44.26 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.603 . . . . 2.91 109.682 175.012 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.23 -36.35 83.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.834 -1.076 . . . . 1.88 111.04 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.0 OUTLIER -72.03 -20.5 61.68 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.623 -0.262 . . . . 0.73 111.427 -179.055 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.89 2.31 9.43 Favored Glycine 0 N--CA 1.454 -0.167 0 C-N-CA 120.48 -0.866 . . . . 0.27 112.482 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.488 HG13 ' HB3' ' A' 2089 ' ' PHE . 30.9 mm -68.23 131.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.898 0.38 . . . . 0.28 111.706 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -113.36 -161.62 0.77 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.897 -0.592 . . . . 1.07 109.569 174.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 15.6 p -64.03 -51.26 65.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.627 0.727 . . . . 0.85 111.187 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.808 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.6 mt -67.67 -53.97 23.4 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.575 -1.193 . . . . 1.65 111.003 -175.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -65.93 -16.25 63.7 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.613 -0.721 . . . . 0.27 112.329 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.471 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -65.17 -47.96 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.78 -0.452 . . . . 0.29 109.78 171.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.3 pp -68.29 -38.01 81.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.381 -0.528 . . . . 0.4 109.674 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.539 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -59.05 -45.25 91.24 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.873 0.368 . . . . 0.72 111.55 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.546 HD11 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -57.53 -55.44 34.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.34 -0.391 . . . . 0.65 110.59 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 40.8 ptt85 -63.34 -33.17 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.728 -0.389 . . . . 2.43 110.045 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.425 HD22 ' HA ' ' A' 2101 ' ' GLU . 79.4 m-20 -52.98 -48.06 67.72 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.347 0.594 . . . . 0.48 109.986 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2105 ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' 2109 ' ' ASN . 17.8 m -63.92 -54.02 41.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.996 -1.002 . . . . 0.51 111.307 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' 2103 ' ' ARG . 2.2 pp -70.79 -24.23 62.54 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.874 -0.331 . . . . 1.13 111.872 -175.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.9 m -69.78 -53.44 18.31 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.293 0.568 . . . . 0.81 110.404 173.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.71 -24.79 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 2.81 110.942 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2109 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.3 t-20 -67.84 -35.33 78.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 2.6 111.096 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.7 p -98.1 -33.67 11.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.07 0.396 . . . . 1.03 112.07 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.71 14.58 21.07 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.757 -0.735 . . . . 1.05 111.896 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.19 -178.42 6.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.62 0.724 . . . . 1.45 112.671 -177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -130.87 115.42 16.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.282 -1.326 . . . . 1.18 108.338 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.562 HD23 ' HG ' ' A' 2118 ' ' LEU . 2.1 mp -123.23 155.17 65.21 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-O 121.183 0.516 . . . . 2.95 112.246 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' 2118 ' ' LEU . 68.2 Cg_endo -77.15 152.17 30.89 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.404 2.736 . . . . 1.1 112.385 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.52 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 55.5 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.95 2.433 . . . . 0.75 112.106 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 3.47 42.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.86 110.588 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.562 ' HG ' HD23 ' A' 2114 ' ' LEU . 2.0 tm? -37.65 -62.21 0.55 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.807 -1.088 . . . . 0.7 112.661 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.471 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.7 mm -73.31 -25.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.5 110.912 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.02 -50.58 61.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.994 -0.548 . . . . 3.49 110.531 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.89 -38.9 64.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.63 -0.714 . . . . 2.0 112.616 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -129.8 64.97 73.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.218 -0.593 . . . . 0.71 111.344 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -81.96 103.88 1.36 Allowed 'Trans proline' 0 N--CA 1.445 -1.376 0 CA-C-N 120.349 1.16 . . . . 0.43 111.371 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.95 144.09 0.43 Allowed Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 124.373 1.069 . . . . 0.5 108.286 170.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.532 ' O ' HG11 ' A' 2067 ' ' VAL . 37.9 Cg_exo -57.76 -54.97 2.7 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 121.57 1.513 . . . . 0.25 112.004 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.508 ' O ' ' HB ' ' A' 2129 ' ' THR . 84.9 t60 -68.43 -34.97 76.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.463 -0.335 . . . . 0.8 111.581 -176.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.95 92.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.756 0.312 . . . . 0.34 110.894 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 2128 ' ' LEU . 36.6 mt -63.53 -35.26 79.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.64 110.523 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' 2126 ' ' HIS . 86.5 m -51.28 -52.16 47.63 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.348 0.594 . . . . 0.33 110.97 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -67.45 -44.09 79.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.154 -0.93 . . . . 2.22 110.594 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.759 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.7 t60 -59.04 -57.65 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.59 110.147 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.508 HD11 HD21 ' A' 2114 ' ' LEU . 4.4 mm? -60.46 -33.48 72.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.48 111.423 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -64.02 -57.54 9.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.839 -0.43 . . . . 0.67 109.839 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 2.8 m -64.27 -22.87 67.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.74 111.866 -176.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.759 ' HG2' ' O ' ' A' 2131 ' ' HIS . 6.0 mmp_? . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.056 0.455 . . . . 3.18 111.008 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.686 ' O ' HD13 ' A' 2063 ' ' LEU . 47.1 mt-30 . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.594 -0.521 . . . . 2.83 109.594 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -54.72 -38.2 66.8 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.063 -0.517 . . . . 1.38 112.053 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.56 -55.3 36.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 1.97 110.085 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.3 m -50.7 -58.96 4.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.092 -0.958 . . . . 0.83 111.249 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' 2059 ' ' GLN . 3.9 mp -54.73 -42.51 71.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.601 -0.727 . . . . 0.92 112.07 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.16 69.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.825 0.345 . . . . 0.37 111.083 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.5 m -80.01 -35.86 36.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.167 -0.679 . . . . 0.42 109.167 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.35 -63.22 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.828 -1.078 . . . . 0.37 110.918 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.17 -39.06 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.64 111.189 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.565 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.16 -53.24 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.03 -0.532 . . . . 0.29 111.078 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.489 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -64.61 -35.97 82.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.825 0.345 . . . . 0.29 110.478 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.656 ' O ' HG13 ' A' 2074 ' ' VAL . . . -59.98 -62.23 2.02 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.656 -0.702 . . . . 0.34 110.012 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.409 ' HA ' ' HG ' ' A' 2102 ' ' LEU . 6.3 t -61.25 -32.54 72.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.38 111.416 -176.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.83 -26.61 62.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.183 -0.462 . . . . 0.54 111.213 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.8 m -88.34 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.114 0.259 . . . . 0.6 111.577 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.3 -37.85 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.633 0.73 . . . . 0.78 109.092 178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 114.893 -1.048 . . . . 1.24 111.208 175.605 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.938 -0.393 . . . . 1.52 109.938 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.489 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 50.4 Cg_exo -56.66 -32.97 92.39 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.363 2.709 . . . . 0.7 112.615 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.18 -27.68 69.53 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.547 -0.751 . . . . 2.96 111.173 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.6 t -105.2 17.55 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 1.7 111.181 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.565 HG13 ' HB1' ' A' 2068 ' ' ALA . 3.9 mm -72.67 118.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.46 -0.571 . . . . 0.76 109.46 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.2 m -81.63 122.93 80.99 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.995 0.426 . . . . 0.42 110.808 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 55.3 Cg_endo -65.17 -31.04 54.87 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.897 3.065 . . . . 0.36 113.647 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.1 -15.06 59.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.288 0.477 . . . . 0.47 112.288 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.1 m -83.45 148.45 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.39 110.846 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' 2092 ' ' LEU . . . -84.86 136.2 33.76 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.268 -0.878 . . . . 0.32 109.213 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' 2094 ' ' ILE . 13.9 m-85 -49.5 -34.74 17.86 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.542 0.526 . . . . 0.48 111.414 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -49.24 61.21 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.518 -0.764 . . . . 2.91 110.648 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.65 -38.8 92.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.447 -0.797 . . . . 1.88 111.85 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' 2088 ' ' ALA . 1.0 OUTLIER -69.49 -21.14 63.71 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.131 -0.228 . . . . 0.73 111.364 -176.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.6 5.99 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.248 -0.977 . . . . 0.27 112.523 177.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' 2094 ' ' ILE . 27.9 mm -69.3 118.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.172 0.511 . . . . 0.28 111.339 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -93.73 -172.45 2.88 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.089 -1.078 . . . . 1.07 108.089 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.03 -21.58 54.32 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 119.655 -0.818 . . . . 0.85 109.29 174.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' A' 2100 ' ' LEU . 17.6 mt -71.55 -50.07 34.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.595 -1.184 . . . . 1.65 110.504 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -14.48 58.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.665 -0.698 . . . . 0.27 112.136 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.29 110.609 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -73.09 -36.74 66.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.4 110.451 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.48 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -62.24 -40.43 96.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.72 111.209 178.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.496 HD23 ' HB1' ' A' 2070 ' ' ALA . 1.1 tt -56.48 -54.98 39.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.65 109.635 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -55.12 -47.77 74.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.01 -0.995 . . . . 2.43 110.233 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -50.02 -46.48 52.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 0.48 110.83 177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 22.8 m -65.31 -52.97 50.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.51 111.536 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' 2107 ' ' THR . 3.2 pp -70.32 -28.59 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 1.13 111.602 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.54 ' N ' HD12 ' A' 2106 ' ' LEU . 92.5 m -65.6 -46.01 80.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.22 0.533 . . . . 0.81 110.124 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 77.8 t60 -63.99 -32.41 73.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.598 -0.728 . . . . 2.81 111.143 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -82.05 -28.38 32.46 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.148 0.425 . . . . 2.6 112.148 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 29.3 p -90.44 -39.69 12.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 1.03 111.153 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 107.79 -30.36 9.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.902 -0.666 . . . . 1.05 112.324 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.464 ' H ' ' HG ' ' A' 2112 ' ' LEU . 1.2 pp -93.18 157.99 15.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.793 0.33 . . . . 1.45 110.349 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.54 123.96 34.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.786 -170.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.405 ' HB3' HD21 ' A' 2118 ' ' LEU . 2.6 mm? -104.9 144.08 28.0 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 2.95 110.336 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.18 143.78 84.9 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.018 2.478 . . . . 1.1 112.611 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.87 -10.67 18.1 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.09 2.527 . . . . 0.75 111.894 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2117 ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' 2120 ' ' PHE . 2.9 p -88.6 5.36 43.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.86 111.42 177.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' 2114 ' ' LEU . 0.4 OUTLIER -34.57 -70.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.773 0.657 . . . . 0.7 112.773 170.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.407 ' CD1' HD11 ' A' 2128 ' ' LEU . 12.0 mm -81.29 -0.17 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 122.017 0.913 . . . . 0.5 109.819 -173.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2120 ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' 2117 ' ' THR . 4.7 t80 -83.66 -47.14 11.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.899 -1.046 . . . . 3.49 109.221 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.92 -42.22 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.698 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.9 m80 -121.81 58.66 9.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 119.074 -0.488 . . . . 0.71 111.786 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.7 104.28 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 CA-C-N 120.905 1.359 . . . . 0.43 111.315 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.75 146.87 0.61 Allowed Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.672 -1.233 . . . . 0.5 107.672 171.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.448 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.7 Cg_exo -57.8 -52.03 6.87 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.449 1.433 . . . . 0.25 111.227 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.643 ' O ' ' HG3' ' A' 2130 ' ' GLN . 81.3 t60 -66.08 -37.15 85.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.819 -0.628 . . . . 0.8 111.156 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2127 ' ' ALA . . . . . 0.445 ' HA ' ' OE1' ' A' 2130 ' ' GLN . . . -66.3 -39.19 89.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.556 -0.293 . . . . 0.34 111.451 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' 2119 ' ' ILE . 20.1 mt -65.07 -40.1 94.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.688 -0.486 . . . . 0.64 109.688 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -52.49 -41.86 63.77 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.348 0.405 . . . . 0.33 110.296 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' 2126 ' ' HIS . 32.2 mt-30 -63.47 -48.99 75.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 2.22 109.953 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.56 -49.57 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.59 110.74 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' 2135 ' ' ARG . 3.6 mm? -62.93 -32.39 73.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.678 -0.692 . . . . 0.48 110.635 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -72.82 -33.52 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.06 -0.348 . . . . 0.67 110.06 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 33.0 m -64.44 -30.8 71.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.74 109.935 176.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' 2132 ' ' LEU . 8.8 mmm180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 3.18 111.296 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.666 ' O ' HD13 ' A' 2063 ' ' LEU . 6.5 mt-30 . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 120.328 0.109 . . . . 2.83 110.925 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -54.53 -41.05 69.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.507 0.558 . . . . 1.38 112.507 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -67.54 -40.66 85.01 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.429 -0.509 . . . . 1.97 110.887 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 94.3 m -57.18 -58.57 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.83 110.746 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' 2059 ' ' GLN . 6.3 mp -61.51 -35.4 77.6 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.077 -0.965 . . . . 0.92 112.099 -177.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.36 -27.58 68.67 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.994 0.426 . . . . 0.37 110.807 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 31.6 m -85.55 -32.82 21.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.902 -0.59 . . . . 0.42 109.411 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.51 -63.03 1.45 Allowed 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.46 -0.791 . . . . 0.37 110.534 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' 2063 ' ' LEU . 6.1 p -54.89 -38.54 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.933 -0.576 . . . . 0.64 111.216 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.409 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -59.35 -52.1 67.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.29 110.832 175.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.71 -27.51 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 0.29 110.876 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.28 -55.31 29.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.018 -0.537 . . . . 0.34 110.015 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.538 ' CG2' HD12 ' A' 2083 ' ' ILE . 5.5 t -70.54 -28.35 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.38 110.304 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -67.99 -15.01 63.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.54 110.569 174.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 55.1 m -90.25 -36.17 14.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.131 -0.486 . . . . 0.6 111.178 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -82.05 -39.19 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.074 0.464 . . . . 0.78 110.464 -176.316 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.475 HD21 HD13 ' A' 2094 ' ' ILE . 56.6 mt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.734 -0.667 . . . . 1.24 111.463 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.093 0.473 . . . . 1.52 111.713 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.12 -15.01 35.61 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.621 2.214 . . . . 0.7 110.699 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -69.73 -39.03 77.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.332 -1.304 . . . . 2.96 110.698 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.8 m -82.22 0.15 42.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.075 -0.966 . . . . 1.7 110.988 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.538 HD12 ' CG2' ' A' 2071 ' ' THR . 8.1 mm -80.56 102.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.746 -0.661 . . . . 0.76 110.261 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.0 m -84.5 129.83 55.96 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.919 0.39 . . . . 0.42 110.006 177.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.467 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.9 Cg_endo -65.78 -30.9 49.48 Favored 'Trans proline' 0 N--CA 1.472 0.241 0 C-N-CA 123.724 2.949 . . . . 0.36 113.758 -171.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.1 -9.92 55.81 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.95 0.352 . . . . 0.47 111.95 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.5 m -83.22 152.92 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.367 0.604 . . . . 0.39 110.781 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -89.19 140.21 29.7 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.028 -0.987 . . . . 0.32 109.72 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.437 ' HB3' HG13 ' A' 2094 ' ' ILE . 16.1 m-85 -57.2 -24.43 54.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.48 111.869 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.04 -65.1 0.61 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.12 0.486 . . . . 2.91 110.28 168.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -27.31 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.008 -0.996 . . . . 1.88 112.893 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.7 OUTLIER -75.76 -22.55 56.35 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.591 -0.444 . . . . 0.73 111.833 178.342 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.92 -0.47 9.14 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.213 -0.994 . . . . 0.27 113.151 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.475 HD13 HD21 ' A' 2075 ' ' LEU . 28.1 mm -68.62 124.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.158 0.504 . . . . 0.28 112.126 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2095 ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' 2099 ' ' ALA . 16.6 m-20 -103.2 -165.75 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.064 -1.087 . . . . 1.07 108.064 170.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -31.78 62.88 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.58 0.705 . . . . 0.85 109.502 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' 2100 ' ' LEU . 19.9 mt -60.86 -50.67 72.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.39 -1.277 . . . . 1.65 110.453 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.4 p -86.16 -10.44 54.77 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.243 -0.889 . . . . 0.27 111.968 -178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.91 -38.71 92.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.29 109.966 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -76.67 -37.19 56.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.284 -0.416 . . . . 0.4 110.61 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.8 mm-40 -63.76 -42.23 97.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.317 . . . . 0.72 111.641 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.52 HD11 ' HB ' ' A' 2071 ' ' THR . 1.1 tt -60.19 -53.64 55.29 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.876 -0.416 . . . . 0.65 109.876 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.546 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 39.2 ttp-105 -54.46 -41.42 69.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.751 -0.659 . . . . 2.43 110.865 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.4 m-20 -50.6 -49.02 57.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.48 110.935 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.3 m -64.47 -42.22 96.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.743 -0.662 . . . . 0.51 110.593 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.8 -40.34 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 1.13 111.178 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 7.0 m -72.37 -28.56 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.599 . . . . 0.81 109.966 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -74.49 -24.34 59.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.571 -0.74 . . . . 2.81 110.657 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.43 -51.74 68.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.214 0.531 . . . . 2.6 111.041 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 15.0 p -105.83 -14.32 15.26 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.464 -0.789 . . . . 1.03 112.758 -169.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 76.94 -7.61 34.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.53 -0.843 . . . . 1.05 112.813 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' 2112 ' ' LEU . 2.9 pp -78.36 -171.77 2.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.192 -0.299 . . . . 1.45 110.192 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -102.15 141.48 34.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 120.794 0.331 . . . . 1.18 110.208 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.9 tp -137.55 132.57 17.65 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.897 -0.592 . . . . 2.95 109.404 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' 2118 ' ' LEU . 31.4 Cg_endo -63.94 141.88 79.42 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.13 2.553 . . . . 1.1 112.453 -176.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.546 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 26.0 Cg_exo -60.15 -21.29 65.42 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.931 2.421 . . . . 0.75 111.753 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.1 p -84.02 2.65 38.05 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.323 -0.853 . . . . 0.86 111.212 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -41.18 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.439 -0.8 . . . . 0.7 112.664 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' 2099 ' ' ALA . 31.2 mm -75.2 -18.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.394 0.616 . . . . 0.5 110.385 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.39 -39.73 74.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.573 -0.739 . . . . 3.49 110.06 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -43.02 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.46 -0.791 . . . . 2.0 111.912 -173.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -123.4 65.24 30.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.71 111.401 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -81.6 104.41 1.46 Allowed 'Trans proline' 0 N--CA 1.444 -1.387 0 CA-C-N 120.451 1.197 . . . . 0.43 110.825 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.13 137.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 114.625 -1.17 . . . . 0.5 108.606 174.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' 2085 ' ' PRO . 31.3 Cg_exo -59.22 -54.76 2.34 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.835 1.69 . . . . 0.25 112.307 -177.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.588 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.4 t60 -69.84 -31.15 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.8 111.474 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -71.83 -43.91 64.78 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.105 -0.238 . . . . 0.34 110.966 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.56 -38.92 72.59 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.29 . . . . 0.64 110.433 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' 2126 ' ' HIS . 94.5 m -49.07 -53.23 21.38 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.91 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -64.05 -35.56 81.12 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.214 -0.903 . . . . 2.22 111.39 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.46 ' O ' ' HG2' ' A' 2135 ' ' ARG . 26.6 t-80 -67.47 -52.95 33.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.908 0.385 . . . . 0.59 110.95 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.9 mm? -63.99 -28.8 70.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.038 -0.528 . . . . 0.48 110.339 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.74 -42.49 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.67 109.885 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 89.5 m -61.21 -33.98 74.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.74 110.973 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' 2131 ' ' HIS . 17.6 mmm180 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 3.18 110.795 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.644 ' O ' HD13 ' A' 2063 ' ' LEU . 20.0 mm-40 . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 110.503 -0.184 . . . . 2.83 110.503 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -54.2 -39.0 66.27 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 113.055 0.761 . . . . 1.38 113.055 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2061 ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' 2062 ' ' THR . 9.0 pt20 -66.17 -43.64 86.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.805 -0.758 . . . . 1.97 110.233 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.435 ' N ' ' HG3' ' A' 2061 ' ' GLN . 91.2 m -57.4 -60.19 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.21 0.528 . . . . 0.83 110.722 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' 2059 ' ' GLN . 5.4 mp -58.38 -36.16 73.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.309 -0.86 . . . . 0.92 112.063 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.1 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.37 110.875 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.6 m -79.89 -29.88 40.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.42 109.06 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.54 -64.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.948 -1.024 . . . . 0.37 110.638 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' 2063 ' ' LEU . 7.5 p -54.29 -40.49 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.953 -0.567 . . . . 0.64 111.541 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.54 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -59.36 -51.56 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.161 -0.472 . . . . 0.29 111.042 175.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.474 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.29 -30.48 69.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.811 0.339 . . . . 0.29 110.542 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.706 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.05 -63.01 1.44 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.03 -0.532 . . . . 0.34 109.643 177.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.442 ' HB ' HD11 ' A' 2102 ' ' LEU . 10.6 t -60.04 -35.38 74.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.38 111.18 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -70.37 -27.38 64.29 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.758 -0.656 . . . . 0.54 111.536 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.8 m -90.14 -36.1 15.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.119 0.414 . . . . 0.6 112.119 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -60.21 -33.93 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.827 -0.805 . . . . 0.78 108.827 178.459 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.453 HD23 HG21 ' A' 2098 ' ' THR . 58.7 mt . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 114.708 -1.133 . . . . 1.24 110.882 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 26.4 m . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.529 -0.545 . . . . 1.52 109.529 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.474 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 14.8 Cg_exo -67.76 -26.03 39.17 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 122.718 2.279 . . . . 0.7 110.956 -173.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.94 -19.37 65.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.341 -1.299 . . . . 2.96 110.569 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.1 t -110.46 14.7 22.49 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.474 -0.785 . . . . 1.7 111.168 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.54 HG13 ' HB1' ' A' 2068 ' ' ALA . 4.3 mm -79.48 118.9 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 O-C-N 122.043 -0.411 . . . . 0.76 110.116 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' 2125 ' ' PRO . 22.5 m -81.3 129.23 67.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 121.096 0.474 . . . . 0.42 111.029 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 74.2 Cg_endo -69.96 -33.07 16.54 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.587 2.858 . . . . 0.36 114.359 -174.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.17 -13.47 58.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.006 0.372 . . . . 0.47 112.006 -174.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.5 m -80.48 154.74 27.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.253 0.549 . . . . 0.39 110.884 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.477 ' O ' HD22 ' A' 2092 ' ' LEU . . . -88.81 141.71 28.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.58 -0.736 . . . . 0.32 109.88 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.485 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.4 m-85 -55.65 -28.72 56.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.739 0.304 . . . . 0.48 110.835 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -51.42 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.459 -0.791 . . . . 2.91 110.069 171.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.14 -35.08 66.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.459 -1.246 . . . . 1.88 111.78 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' 2088 ' ' ALA . 0.5 OUTLIER -67.62 -21.21 65.4 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 121.1 -0.24 . . . . 0.73 111.4 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.17 10.82 5.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.27 112.563 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 35.3 mm -81.17 126.23 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.809 0.337 . . . . 0.28 111.27 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.18 -169.32 1.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.188 -1.041 . . . . 1.07 108.188 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -24.45 62.16 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.938 -0.705 . . . . 0.85 110.025 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' 2100 ' ' LEU . 46.5 mt -66.11 -54.92 19.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.019 -0.991 . . . . 1.65 110.477 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.453 HG21 HD23 ' A' 2075 ' ' LEU . 2.7 p -82.22 -14.09 56.07 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.036 -0.983 . . . . 0.27 112.287 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' 2119 ' ' ILE . . . -56.96 -40.99 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.885 0.374 . . . . 0.29 110.515 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.4 pp -75.33 -35.98 61.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.747 -0.381 . . . . 0.4 110.715 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' 2104 ' ' ASN . 6.7 mm-40 -63.9 -40.28 96.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.72 110.964 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.442 HD11 ' HB ' ' A' 2071 ' ' THR . 0.8 OUTLIER -61.2 -53.26 59.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.65 110.402 175.044 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 46.8 ttp85 -52.93 -39.92 63.23 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.038 -0.528 . . . . 2.43 110.748 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' 2101 ' ' GLU . 75.4 m-20 -51.98 -53.41 41.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.48 110.945 175.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.9 m -61.94 -45.21 94.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.363 . . . . 0.51 110.972 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.9 mt -60.6 -38.98 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 1.13 111.448 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 62.7 m -67.91 -32.96 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.0 -0.545 . . . . 0.81 111.065 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 7.5 m170 -68.63 -19.38 64.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 2.81 111.771 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -72.32 -30.87 65.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.008 0.433 . . . . 2.6 111.181 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.464 ' HB ' ' HG ' ' A' 2112 ' ' LEU . 25.6 p -111.93 -25.72 9.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.519 0.563 . . . . 1.03 112.519 -176.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 75.71 5.81 79.89 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.73 -0.748 . . . . 1.05 111.392 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.464 ' HG ' ' HB ' ' A' 2110 ' ' THR . 51.9 mt -78.78 -167.94 1.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.823 -0.689 . . . . 1.45 110.709 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 39.1 t70 -122.81 96.51 5.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.713 0.768 . . . . 1.18 110.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.44 133.26 33.33 Favored Pre-proline 0 C--N 1.31 -1.118 0 CA-C-N 114.385 -1.28 . . . . 2.95 109.777 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.3 Cg_endo -61.37 144.28 98.28 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 C-N-CA 123.107 2.538 . . . . 1.1 111.877 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.403 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 14.4 Cg_endo -59.06 -9.38 7.87 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.899 2.4 . . . . 0.75 112.383 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.8 p -93.57 3.43 55.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.025 -0.534 . . . . 0.86 110.803 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -39.49 -69.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.871 0.869 . . . . 0.7 112.249 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' 2099 ' ' ALA . 41.8 mm -73.92 -20.26 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.444 0.64 . . . . 0.5 110.457 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -31.57 65.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.599 -0.728 . . . . 3.49 110.63 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.8 -39.58 10.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.753 -0.658 . . . . 2.0 112.11 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -130.66 65.56 76.6 Favored Pre-proline 0 N--CA 1.465 0.304 0 C-N-CA 120.578 -0.449 . . . . 0.71 111.513 -174.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -81.07 104.5 1.55 Allowed 'Trans proline' 0 N--CA 1.442 -1.504 0 CA-C-N 120.45 1.196 . . . . 0.43 110.584 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.43 138.31 0.41 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.761 -1.109 . . . . 0.5 108.858 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 40.7 Cg_exo -57.31 -58.27 0.95 Allowed 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 121.959 1.773 . . . . 0.25 112.542 -177.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' A' 2129 ' ' THR . 53.9 t-80 -70.4 -34.54 72.67 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.793 0.294 . . . . 0.8 111.793 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.52 89.72 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.972 -0.291 . . . . 0.34 111.251 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.419 HD13 HD11 ' A' 2106 ' ' LEU . 37.6 mt -57.58 -39.75 77.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.576 -0.284 . . . . 0.64 110.459 171.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.645 ' HB ' ' O ' ' A' 2126 ' ' HIS . 93.2 m -52.45 -42.7 64.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.953 -0.567 . . . . 0.33 110.461 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' 2126 ' ' HIS . 55.6 mt-30 -64.14 -44.65 91.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.343 -0.844 . . . . 2.22 110.487 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 21.0 t60 -61.56 -52.95 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.59 110.902 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.4 mm? -66.03 -30.31 70.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.726 -0.389 . . . . 0.48 110.163 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -61.1 -35.76 77.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.741 0.305 . . . . 0.67 110.603 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 12.5 m -69.73 -41.99 74.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.74 110.045 175.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 115.888 -0.597 . . . . 3.18 111.482 179.228 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.713 ' O ' ' HG ' ' A' 2063 ' ' LEU . 75.3 mt-30 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.718 -0.105 . . . . 2.83 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -50.43 -40.64 50.95 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 112.936 0.717 . . . . 1.38 112.936 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.38 -45.16 88.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.23 0.456 . . . . 1.97 112.23 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2062 ' ' THR . . . . . 0.424 HG22 ' O ' ' A' 2059 ' ' GLN . 9.5 t -71.52 -16.74 62.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.243 0.544 . . . . 0.83 110.91 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 2059 ' ' GLN . 14.9 mt -88.51 -38.18 15.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.203 -0.453 . . . . 0.92 109.957 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.11 69.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.512 -0.767 . . . . 0.37 109.869 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 63.7 m -74.21 -30.28 62.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.423 -0.808 . . . . 0.42 109.713 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 17.6 tp -70.85 -63.74 1.04 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.773 -0.649 . . . . 0.37 110.583 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' 2063 ' ' LEU . 5.7 p -53.92 -40.08 43.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.003 -0.544 . . . . 0.64 111.959 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.0 -52.94 61.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.29 110.603 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.78 71.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.29 110.532 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' 2074 ' ' VAL . . . -61.93 -59.72 4.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.575 -0.739 . . . . 0.34 110.506 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.536 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -69.12 -27.81 65.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.38 110.565 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -64.57 -36.1 83.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.698 -0.683 . . . . 0.54 110.412 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -68.86 -34.0 74.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.226 0.536 . . . . 0.6 110.493 177.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.808 HG12 HG22 ' A' 2098 ' ' THR . 2.2 t -72.5 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.753 -0.658 . . . . 0.78 111.008 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.572 HD11 HD13 ' A' 2094 ' ' ILE . 8.1 mp . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.819 -0.628 . . . . 1.24 111.493 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 109.699 -0.482 . . . . 1.52 109.699 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.514 ' HA ' HD12 ' A' 2083 ' ' ILE . 2.7 Cg_exo -74.37 -18.48 20.41 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.612 2.208 . . . . 0.7 110.295 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.61 -35.69 76.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.075 -1.421 . . . . 2.96 111.134 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -99.53 6.29 45.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.24 -173.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.536 HD13 ' CG2' ' A' 2071 ' ' THR . 37.1 mt -87.12 96.97 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.76 110.362 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 22.1 m -81.14 132.27 56.93 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.479 -0.782 . . . . 0.42 110.631 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 60.6 Cg_endo -68.86 -25.94 32.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.411 2.74 . . . . 0.36 112.934 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.49 -24.18 60.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 0.47 111.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.0 m -84.42 156.48 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.39 110.334 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -96.58 147.26 24.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.116 -0.493 . . . . 0.32 110.375 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.43 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 11.7 m-85 -53.25 -33.17 51.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.921 0.391 . . . . 0.48 110.905 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.06 -44.4 67.44 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.364 -0.834 . . . . 2.91 110.684 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.64 -30.86 36.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.636 -1.165 . . . . 1.88 111.921 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -22.74 63.08 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.795 0.294 . . . . 0.73 111.795 -178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 126.48 18.39 2.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 119.901 -1.143 . . . . 0.27 113.0 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.572 HD13 HD11 ' A' 2075 ' ' LEU . 29.2 mm -89.5 130.62 38.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.025 0.44 . . . . 0.28 111.413 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.89 -165.27 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.125 -1.065 . . . . 1.07 108.125 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -25.65 62.87 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.6 -0.84 . . . . 0.85 110.01 176.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.8 mt -65.15 -60.59 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.959 -1.019 . . . . 1.65 110.43 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.808 HG22 HG12 ' A' 2074 ' ' VAL . 1.1 p -73.78 -17.82 61.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.13 -0.941 . . . . 0.27 112.083 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.83 -42.75 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.954 0.407 . . . . 0.29 110.769 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -78.07 -35.4 49.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.59 -0.444 . . . . 0.4 110.203 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.3 mm-40 -62.86 -40.67 98.18 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.231 0.539 . . . . 0.72 110.891 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.32 -53.31 50.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.741 -0.663 . . . . 0.65 109.693 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 40.4 ttp-105 -54.3 -41.59 69.13 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.595 -0.73 . . . . 2.43 110.811 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.5 m-20 -50.14 -50.38 48.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.992 0.425 . . . . 0.48 110.809 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.3 m -66.21 -45.44 80.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.51 110.851 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.67 -42.38 88.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 1.13 111.208 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 28.1 m -62.36 -44.48 96.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.101 0.477 . . . . 0.81 110.563 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.07 -26.46 65.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.828 -0.624 . . . . 2.81 110.987 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -93.36 -4.6 51.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.238 -0.437 . . . . 2.6 111.598 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2110 ' ' THR . . . . . 0.405 HG21 HD12 ' A' 2132 ' ' LEU . 21.0 p -110.63 -27.56 8.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.583 -0.281 . . . . 1.03 111.24 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.21 -14.12 46.53 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 121.065 -0.588 . . . . 1.05 112.847 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' 2112 ' ' LEU . 3.4 pp -103.57 -170.14 1.74 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.92 0.391 . . . . 1.45 110.763 -176.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -118.33 117.82 30.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.075 -0.511 . . . . 1.18 110.584 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.64 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -119.86 177.27 1.44 Allowed Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.578 -0.737 . . . . 2.95 109.364 179.784 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.64 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.8 Cg_endo -88.33 153.29 6.67 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.296 1.997 . . . . 1.1 112.934 -170.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.45 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 12.6 Cg_exo -68.25 -15.59 42.78 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.892 2.395 . . . . 0.75 111.431 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -83.5 -0.78 51.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.141 -0.936 . . . . 0.86 110.864 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -34.46 -67.03 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.972 -1.013 . . . . 0.7 112.83 176.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' 2099 ' ' ALA . 34.1 mm -79.31 -20.41 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.102 0.477 . . . . 0.5 110.803 -175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -67.02 -47.84 70.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.336 0.589 . . . . 3.49 110.042 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -81.11 -42.45 20.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.95 . . . . 2.0 112.167 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -127.06 63.09 55.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 C-N-CA 120.369 -0.532 . . . . 0.71 111.836 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -81.82 104.37 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 CA-C-N 120.39 1.175 . . . . 0.43 111.299 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.26 148.31 0.73 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 114.971 -1.013 . . . . 0.5 108.318 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.61 -54.51 0.74 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 121.711 1.608 . . . . 0.25 111.212 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.626 ' O ' ' HB ' ' A' 2129 ' ' THR . 76.2 t60 -67.42 -31.35 71.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.8 111.907 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -74.69 -41.16 60.74 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.816 -0.354 . . . . 0.34 111.567 -175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.92 -35.96 78.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.637 -0.505 . . . . 0.64 109.637 172.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' 2126 ' ' HIS . 95.5 m -53.11 -37.25 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.146 -0.933 . . . . 0.33 110.807 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' 2133 ' ' HIS . 16.4 mt-30 -73.89 -36.94 64.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.445 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -70.56 -43.35 69.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.59 110.812 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.405 HD12 HG21 ' A' 2110 ' ' THR . 2.8 mm? -74.28 -20.08 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.469 -0.493 . . . . 0.48 110.41 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2133 ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' 2130 ' ' GLN . 50.7 t60 -62.18 -38.47 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.5 -0.555 . . . . 0.67 109.5 172.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 32.2 m -63.88 -38.84 92.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.612 -0.722 . . . . 0.74 110.726 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.041 0.448 . . . . 3.18 110.884 -178.358 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.647 ' O ' HD13 ' A' 2063 ' ' LEU . 69.7 mt-30 . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 110.397 -0.223 . . . . 2.83 110.397 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -51.43 -51.36 55.49 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 112.771 0.656 . . . . 1.38 112.771 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -60.43 -39.02 85.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.196 -0.602 . . . . 1.97 110.672 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 72.6 m -59.25 -59.33 5.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.83 110.601 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' 2059 ' ' GLN . 6.7 mp -55.22 -38.42 68.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.92 111.881 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.58 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.37 111.016 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.3 m -85.92 -34.48 20.91 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.297 -0.631 . . . . 0.42 109.297 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.82 -62.24 2.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.37 110.465 174.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' 2063 ' ' LEU . 10.2 p -58.05 -38.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.623 -0.717 . . . . 0.64 111.601 -178.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.25 70.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.098 -0.334 . . . . 0.29 110.098 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.683 0.278 . . . . 0.29 110.732 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' 2074 ' ' VAL . . . -65.21 -50.87 64.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.403 -0.362 . . . . 0.34 111.173 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.643 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -76.16 -18.38 59.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.455 0.645 . . . . 0.38 110.274 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -73.73 -39.74 64.07 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.486 -0.779 . . . . 0.54 110.357 170.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.6 m -65.22 -35.85 82.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.748 0.309 . . . . 0.6 111.64 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' 2070 ' ' ALA . 0.1 OUTLIER -73.72 -60.77 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.78 111.693 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.518 HD11 HD13 ' A' 2094 ' ' ILE . 9.7 mp . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 1.24 112.008 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.46 0.066 0 N-CA-C 110.54 -0.17 . . . . 1.52 110.54 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.508 ' HA ' ' CD1' ' A' 2083 ' ' ILE . 10.9 Cg_exo -71.87 -19.65 26.88 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.804 2.336 . . . . 0.7 111.973 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.39 -37.31 85.24 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.193 -0.912 . . . . 2.96 112.087 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -100.05 18.77 17.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.7 111.118 -173.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.643 HD13 ' CG2' ' A' 2071 ' ' THR . 20.0 mt -96.41 90.0 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 121.547 0.689 . . . . 0.76 110.585 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.9 m -75.65 127.81 85.07 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.012 -0.995 . . . . 0.42 110.576 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.436 ' HA ' ' HG2' ' A' 2125 ' ' PRO . 38.3 Cg_endo -61.54 -30.8 86.8 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.887 3.058 . . . . 0.36 113.404 -174.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -72.91 -16.75 61.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.796 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.454 ' HB ' HD21 ' A' 2092 ' ' LEU . 3.2 m -91.05 156.48 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.39 111.136 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -93.41 141.71 28.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.411 -0.813 . . . . 0.32 109.937 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.569 ' HB3' ' CG1' ' A' 2094 ' ' ILE . 8.6 m-30 -56.06 -26.76 50.6 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.48 111.63 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -52.69 -58.51 6.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.472 0.483 . . . . 2.91 109.961 172.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' 2087 ' ' THR . 21.0 t70 -56.59 -41.16 76.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.686 -0.688 . . . . 1.88 111.724 174.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' 2087 ' ' THR . 0.9 OUTLIER -68.72 -23.67 64.38 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.088 0.403 . . . . 0.73 112.088 -177.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 131.0 -2.74 5.57 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 119.624 -1.274 . . . . 0.27 114.659 174.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.602 HD11 HD12 ' A' 2102 ' ' LEU . 15.7 mm -60.22 121.86 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 117.669 0.734 . . . . 0.28 111.131 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -104.57 -163.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 1.07 109.584 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -69.43 -34.26 74.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.425 0.631 . . . . 0.85 110.413 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.634 ' O ' ' HG ' ' A' 2100 ' ' LEU . 50.3 mt -73.87 -60.08 2.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.066 -0.97 . . . . 1.65 110.864 -176.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' 2102 ' ' LEU . 1.5 p -67.28 -11.23 56.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.14 -0.937 . . . . 0.27 112.709 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.94 95.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.29 110.636 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -82.67 -37.29 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.446 -0.502 . . . . 0.4 110.55 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.433 ' HA ' HD22 ' A' 2104 ' ' ASN . 5.1 mm-40 -62.07 -40.55 96.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.958 0.408 . . . . 0.72 111.231 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.602 HD12 HD11 ' A' 2094 ' ' ILE . 1.8 tt -59.04 -55.11 39.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.336 -0.616 . . . . 0.65 109.336 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.417 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 35.7 ttp-105 -54.76 -42.09 71.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.924 -1.035 . . . . 2.43 110.858 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' 2101 ' ' GLU . 86.0 m-20 -51.63 -40.92 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.045 0.45 . . . . 0.48 110.943 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 23.0 m -72.8 -45.6 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.51 110.517 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -45.6 90.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.032 -0.531 . . . . 1.13 111.723 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.7 m -59.49 -40.42 86.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.263 0.554 . . . . 0.81 110.231 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.11 -28.22 63.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.537 -0.756 . . . . 2.81 111.142 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -88.86 -10.83 46.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 2.6 111.368 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 31.7 p -106.63 -39.98 5.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.999 -0.546 . . . . 1.03 110.852 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.75 60.26 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.84 -0.695 . . . . 1.05 112.779 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.0 pp -92.37 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.812 0.339 . . . . 1.45 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.78 119.16 34.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.23 0.538 . . . . 1.18 111.176 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.629 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -122.97 177.74 1.55 Allowed Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.208 -0.906 . . . . 2.95 109.229 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 51.7 Cg_endo -90.07 155.11 4.8 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.567 2.178 . . . . 1.1 112.802 -171.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.417 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 32.8 Cg_endo -65.72 -10.83 28.09 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.843 2.362 . . . . 0.75 111.961 176.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -92.94 2.56 56.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.855 -0.611 . . . . 0.86 110.724 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.5 tm? -36.36 -70.06 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.974 0.909 . . . . 0.7 113.002 177.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 37.5 mm -77.96 -20.95 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 121.388 0.613 . . . . 0.5 110.343 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.08 -34.72 78.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.465 -0.789 . . . . 3.49 110.196 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -94.69 -45.7 7.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.634 -0.712 . . . . 2.0 111.171 -176.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.25 63.94 13.39 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.798 -0.361 . . . . 0.71 111.715 -172.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2123 ' ' PRO . . . . . 0.443 ' HB2' ' HB2' ' A' 2089 ' ' PHE . 60.9 Cg_endo -80.34 104.69 1.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 CA-C-N 120.466 1.202 . . . . 0.43 109.83 176.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.15 144.68 0.58 Allowed Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.891 -1.049 . . . . 0.5 109.005 -175.713 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.436 ' HG2' ' HA ' ' A' 2085 ' ' PRO . 17.7 Cg_exo -66.25 -60.36 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 121.515 1.477 . . . . 0.25 112.224 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.616 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.5 t60 -71.07 -33.24 70.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.8 111.589 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2127 ' ' ALA . . . . . 0.493 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.35 -39.85 85.8 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.165 -0.214 . . . . 0.34 111.368 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.456 HD12 HG21 ' A' 2067 ' ' VAL . 23.0 mt -62.13 -39.65 93.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.724 -0.472 . . . . 0.64 109.724 172.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' 2126 ' ' HIS . 92.8 m -52.23 -53.82 38.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.569 -0.741 . . . . 0.33 110.759 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -40.68 88.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.738 -0.665 . . . . 2.22 110.687 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 58.4 t60 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.927 0.394 . . . . 0.59 110.877 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.479 ' HA ' ' HG2' ' A' 2135 ' ' ARG . 3.5 mm? -70.15 -21.39 63.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.224 -0.444 . . . . 0.48 110.957 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -73.58 -35.27 65.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.683 -0.488 . . . . 0.67 109.683 174.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 46.3 m -68.07 -29.71 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.74 110.353 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' A' 2132 ' ' LEU . 28.3 mmm180 . . . . . 0 C--N 1.332 -0.182 0 CA-C-O 121.47 0.653 . . . . 3.18 110.79 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.635 ' O ' HD13 ' A' 2063 ' ' LEU . 52.1 mt-30 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.483 0.182 . . . . 2.83 111.428 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -54.61 -42.94 71.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.236 0.828 . . . . 1.38 113.236 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -61.3 -42.22 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.305 -0.558 . . . . 1.97 110.598 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 53.5 m -58.5 -59.39 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.978 -0.555 . . . . 0.83 110.701 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' 2067 ' ' VAL . 6.9 mp -55.0 -49.7 70.84 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.562 -0.745 . . . . 0.92 111.989 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.65 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.086 0.47 . . . . 0.37 111.711 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.6 m -90.73 -33.83 15.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.635 -0.711 . . . . 0.42 109.628 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.32 -58.43 8.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.599 -0.728 . . . . 0.37 110.027 174.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' 2063 ' ' LEU . 23.7 t -45.22 -53.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 122.201 1.0 . . . . 0.64 110.896 174.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2068 ' ' ALA . . . . . 0.482 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -58.26 -45.93 86.91 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.531 -1.668 . . . . 0.29 111.733 -177.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -69.81 -32.69 71.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.779 0.323 . . . . 0.29 110.907 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.18 -56.17 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.34 110.642 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.463 ' HB ' HD11 ' A' 2102 ' ' LEU . 5.7 t -64.76 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.687 . . . . 0.38 110.312 -178.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -73.45 -19.62 60.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.064 -0.971 . . . . 0.54 111.154 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.1 m -87.24 -39.39 15.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 0.6 111.255 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -70.2 -39.44 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.78 109.414 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.018 -0.992 . . . . 1.24 110.51 174.37 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' 2081 ' ' GLU . 19.1 m . . . . . 0 N--CA 1.444 -0.775 0 N-CA-C 108.136 -1.061 . . . . 1.52 108.136 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 34.1 Cg_exo -61.97 -18.31 60.65 Favored 'Trans proline' 0 N--CA 1.471 0.189 0 C-N-CA 123.209 2.606 . . . . 0.7 112.232 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2081 ' ' GLU . . . . . 0.472 ' HB3' HG22 ' A' 2079 ' ' THR . 34.8 tt0 -61.56 -36.97 82.13 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.131 -0.941 . . . . 2.96 111.123 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 23.3 t -95.46 13.73 24.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 1.7 111.06 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.3 mm -86.91 105.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.704 -0.48 . . . . 0.76 109.704 174.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' 2125 ' ' PRO . 20.0 m -77.0 125.91 86.23 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 0.42 110.563 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.501 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.3 Cg_endo -66.87 -30.85 39.72 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 123.683 2.922 . . . . 0.36 113.797 -174.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.35 -9.07 58.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.024 0.379 . . . . 0.47 112.024 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.8 m -84.63 152.74 23.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.408 0.623 . . . . 0.39 111.064 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.414 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.18 139.26 30.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.326 -0.852 . . . . 0.32 109.777 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.416 ' HB3' HG13 ' A' 2094 ' ' ILE . 20.8 m-85 -53.72 -27.57 28.98 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.535 0.522 . . . . 0.48 111.612 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.12 -59.89 3.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.51 0.671 . . . . 2.91 110.468 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.84 -37.83 83.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.49 -1.232 . . . . 1.88 111.942 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' 2088 ' ' ALA . 1.1 mm? -66.9 -22.48 65.96 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.905 -0.318 . . . . 0.73 111.279 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.69 0.59 8.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.168 -1.015 . . . . 0.27 113.14 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' 2089 ' ' PHE . 31.1 mm -67.58 121.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.196 0.522 . . . . 0.28 112.099 -178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -105.08 -164.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.578 -0.737 . . . . 1.07 109.085 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -17.25 60.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.435 0.636 . . . . 0.85 110.271 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.8 mt -82.56 -47.55 12.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.166 -0.925 . . . . 1.65 110.251 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.6 p -85.09 -14.23 47.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.381 -0.827 . . . . 0.27 111.887 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.12 83.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.15 0.5 . . . . 0.29 110.347 174.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 2097 ' ' LEU . 2.9 pp -77.65 -43.0 32.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.62 -0.432 . . . . 0.4 110.473 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.511 ' N ' HD12 ' A' 2100 ' ' LEU . 7.4 mm-40 -56.88 -43.51 81.32 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 111.943 0.349 . . . . 0.72 111.943 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.497 ' HA ' HG11 ' A' 2074 ' ' VAL . 1.1 tt -56.22 -56.04 25.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 0.65 111.004 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.718 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.8 ptt-85 -68.42 -26.55 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.749 -0.38 . . . . 2.43 110.406 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.453 HD22 ' HA ' ' A' 2101 ' ' GLU . 91.5 m-20 -58.34 -47.28 84.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.344 0.593 . . . . 0.48 109.46 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2105 ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' 2109 ' ' ASN . 17.1 m -63.04 -52.11 64.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.137 -0.938 . . . . 0.51 109.772 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -36.93 69.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.983 -0.553 . . . . 1.13 111.389 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 92.6 m -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.376 0.608 . . . . 0.81 110.351 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -78.89 -26.73 43.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.643 -0.708 . . . . 2.81 111.454 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2109 ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' 2105 ' ' THR . 13.2 m120 -68.85 -32.59 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.069 0.462 . . . . 2.6 110.735 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 30.7 p -95.65 -40.95 9.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.879 -0.6 . . . . 1.03 111.311 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.97 49.27 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.827 -0.702 . . . . 1.05 112.273 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.4 pp -100.27 -173.29 2.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 1.45 110.913 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.05 140.02 47.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.672 -0.694 . . . . 1.18 110.459 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.489 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 3.8 pp -142.23 166.8 19.05 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 2.95 110.813 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.513 ' HD2' HD23 ' A' 2118 ' ' LEU . 29.2 Cg_endo -91.71 160.61 3.47 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.788 2.992 . . . . 1.1 113.466 -168.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.718 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 33.1 Cg_endo -65.13 -9.96 23.82 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.253 2.636 . . . . 0.75 112.926 177.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.7 p -101.63 2.78 39.19 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.368 -0.378 . . . . 0.86 110.966 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' 2115 ' ' PRO . 1.5 tm? -37.51 -66.15 0.26 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.288 -0.869 . . . . 0.7 112.284 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.74 -22.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.175 0.512 . . . . 0.5 110.671 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.67 -39.91 64.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.889 -0.596 . . . . 3.49 111.042 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.55 -38.77 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 2.0 111.467 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.0 m80 -124.05 58.72 16.09 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 119.109 -0.472 . . . . 0.71 111.385 -173.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -80.92 104.55 1.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-N 120.971 1.383 . . . . 0.43 111.546 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 143.05 0.49 Allowed Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.674 -1.148 . . . . 0.5 108.042 170.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.529 ' HA ' HG11 ' A' 2067 ' ' VAL . 36.0 Cg_exo -60.37 -46.89 16.02 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 121.675 1.584 . . . . 0.25 111.81 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.538 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.1 t60 -75.47 -30.49 59.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.8 112.057 -178.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -73.43 -38.6 65.47 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.131 -0.355 . . . . 0.34 111.262 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.01 -28.54 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.96 -0.385 . . . . 0.64 109.96 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.538 ' HB ' ' O ' ' A' 2126 ' ' HIS . 38.2 m -57.36 -36.54 71.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.823 -0.626 . . . . 0.33 110.387 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.35 -45.91 24.57 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.346 -0.843 . . . . 2.22 110.198 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 61.3 t60 -62.31 -52.97 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.59 110.562 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.518 HD13 ' HG3' ' A' 2135 ' ' ARG . 3.6 mm? -68.74 -23.01 64.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.48 111.063 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2133 ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' 2129 ' ' THR . 43.8 t-80 -64.71 -37.29 87.1 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.343 -0.614 . . . . 0.67 109.343 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.2 m -66.91 -41.2 87.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.781 -0.645 . . . . 0.74 109.547 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.518 ' HG3' HD13 ' A' 2132 ' ' LEU . 21.7 mmm180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.611 -0.722 . . . . 3.18 110.918 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.689 ' O ' HD13 ' A' 2063 ' ' LEU . 11.1 mt-30 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.456 -0.202 . . . . 2.83 110.456 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -55.65 -35.75 66.27 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 112.541 0.571 . . . . 1.38 112.541 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -63.13 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.275 -0.57 . . . . 1.97 110.311 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 98.3 m -61.44 -57.67 11.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.723 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' 2059 ' ' GLN . 5.9 mp -59.66 -38.84 82.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.391 -0.822 . . . . 0.92 111.997 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.45 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.37 110.514 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 49.8 m -81.33 -34.83 31.59 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.5 -0.556 . . . . 0.42 109.5 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.05 -63.9 1.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.37 110.719 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -53.62 -41.37 46.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 123.474 0.484 . . . . 0.64 111.362 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.64 -57.55 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.29 111.004 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.428 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.01 -28.49 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.29 110.939 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.02 -57.38 10.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.029 -0.532 . . . . 0.34 110.128 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.494 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.8 t -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.279 0.562 . . . . 0.38 110.426 -177.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -66.29 -25.36 66.82 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.362 -0.835 . . . . 0.54 110.409 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 24.0 m -86.71 -35.84 19.02 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.89 -0.324 . . . . 0.6 110.864 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.78 -40.83 70.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.78 109.897 -179.182 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 1.24 110.95 176.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' 2081 ' ' GLU . 4.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.887 -0.783 . . . . 1.52 108.887 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.428 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 23.0 Cg_exo -64.71 -19.48 64.58 Favored 'Trans proline' 0 N--CA 1.467 -0.064 0 C-N-CA 122.693 2.262 . . . . 0.7 111.655 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2081 ' ' GLU . . . . . 0.445 ' HB3' HG22 ' A' 2079 ' ' THR . 31.6 tt0 -64.98 -37.86 89.07 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.971 -1.013 . . . . 2.96 111.407 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.6 t -93.5 10.57 31.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.236 0.541 . . . . 1.7 110.55 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' 2071 ' ' THR . 21.9 mt -91.23 103.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.411 . . . . 0.76 110.032 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.567 ' HB2' ' OG1' ' A' 2087 ' ' THR . 53.9 m -75.49 130.67 79.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.189 -0.459 . . . . 0.42 110.581 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.497 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 60.1 Cg_endo -67.38 -27.62 40.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.321 2.68 . . . . 0.36 113.172 -175.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.93 -8.32 58.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.21 -0.45 . . . . 0.47 112.196 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.8 m -84.17 151.62 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.322 0.582 . . . . 0.39 110.906 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -87.04 137.59 32.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.284 -0.871 . . . . 0.32 109.497 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.434 ' HA ' HD23 ' A' 2092 ' ' LEU . 8.1 m-85 -53.39 -30.5 40.31 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.94 -0.573 . . . . 0.48 111.994 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -49.76 64.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 123.527 0.517 . . . . 2.91 109.911 174.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.89 -34.45 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 1.88 111.407 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.6 mm? -69.29 -23.38 63.82 Favored 'General case' 0 C--O 1.23 0.053 0 C-N-CA 120.827 -0.349 . . . . 0.73 111.251 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.99 5.7 6.18 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.021 -1.085 . . . . 0.27 112.918 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.467 HD11 ' OG1' ' A' 2071 ' ' THR . 33.8 mm -74.23 129.12 36.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.016 0.436 . . . . 0.28 111.663 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -112.73 -163.85 0.88 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.925 -1.139 . . . . 1.07 107.925 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 5.4 p -71.98 -39.87 68.99 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.125 -0.63 . . . . 0.85 110.7 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.786 ' O ' ' HG ' ' A' 2100 ' ' LEU . 2.1 tt -62.12 -53.46 55.06 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.422 -0.808 . . . . 1.65 111.61 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2098 ' ' THR . . . . . 0.519 ' N ' HD23 ' A' 2097 ' ' LEU . 0.6 OUTLIER -67.96 -16.45 64.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.8 0.333 . . . . 0.27 111.774 179.021 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.78 72.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.319 -0.4 . . . . 0.29 110.7 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.786 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.5 pp -80.25 -33.49 37.87 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.363 -0.535 . . . . 0.4 109.741 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' 2104 ' ' ASN . 9.2 mm-40 -58.71 -40.78 84.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.077 0.465 . . . . 0.72 110.664 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.469 HD22 HD11 ' A' 2106 ' ' LEU . 0.6 OUTLIER -63.59 -52.51 60.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.745 -0.662 . . . . 0.65 110.499 177.057 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.596 ' NH1' ' HA ' ' A' 2116 ' ' PRO . 40.0 mtm105 -58.44 -33.5 69.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.005 -0.543 . . . . 2.43 111.164 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' 2101 ' ' GLU . 73.4 m-20 -53.73 -42.29 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.48 111.0 175.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.61 -47.28 14.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.229 -0.441 . . . . 0.51 111.162 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.469 HD11 HD22 ' A' 2102 ' ' LEU . 85.0 mt -54.92 -48.45 73.08 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.873 0.368 . . . . 1.13 111.281 -177.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2107 ' ' THR . . . . . 0.622 ' HA ' HD23 ' A' 2114 ' ' LEU . 26.2 m -61.84 -49.69 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.647 . . . . 0.81 110.913 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 81.0 t60 -68.43 -32.63 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.767 -0.651 . . . . 2.81 111.574 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -71.51 -27.91 63.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 2.6 111.184 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 5.9 p -100.45 -35.28 9.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.295 -0.411 . . . . 1.03 111.943 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 92.36 11.68 59.39 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.146 -0.782 . . . . 1.05 111.146 -176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2112 ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' 2135 ' ' ARG . 57.4 mt -94.97 -168.57 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.973 -0.613 . . . . 1.45 111.313 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -120.51 119.81 34.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.859 -1.064 . . . . 1.18 109.715 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' 2107 ' ' THR . 4.2 mm? -112.48 133.35 21.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.315 -0.402 . . . . 2.95 110.91 -174.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -72.03 145.11 44.06 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.334 . . . . 1.1 111.802 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.596 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 38.1 Cg_endo -66.31 -13.25 39.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.822 2.348 . . . . 0.75 111.943 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.3 p -95.28 4.99 52.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.551 -0.75 . . . . 0.86 111.282 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.442 ' HB3' ' HD3' ' A' 2103 ' ' ARG . 20.8 tp -44.27 -59.04 2.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.326 0.584 . . . . 0.7 111.956 175.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 15.7 mm -79.08 -0.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.5 110.059 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -42.43 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.752 -0.832 . . . . 3.49 108.752 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -86.06 -51.23 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.432 -0.804 . . . . 2.0 111.263 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -125.69 64.69 50.63 Favored Pre-proline 0 C--N 1.331 -0.204 0 C-N-CA 120.808 -0.357 . . . . 0.71 111.364 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -80.2 104.46 1.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 CA-C-N 120.568 1.239 . . . . 0.43 110.259 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2124 ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.53 143.96 0.53 Allowed Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 114.582 -1.19 . . . . 0.5 108.923 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.497 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.5 Cg_exo -57.55 -59.47 0.57 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 121.806 1.671 . . . . 0.25 112.166 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.604 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.3 t60 -70.92 -35.23 72.18 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.974 0.361 . . . . 0.8 111.974 -174.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2127 ' ' ALA . . . . . 0.467 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.925 -0.31 . . . . 0.34 111.389 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2128 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' 2128 ' ' LEU . 18.8 mt -67.22 -36.75 82.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.982 0.42 . . . . 0.64 109.936 171.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -53.7 -42.98 68.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.543 -0.753 . . . . 0.33 110.341 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2130 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2126 ' ' HIS . 60.9 mt-30 -61.35 -44.78 96.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.516 -0.766 . . . . 2.22 110.477 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.91 -56.54 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 0.59 110.819 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.3 mm? -68.61 -24.6 64.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.882 -0.599 . . . . 0.48 110.971 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -65.7 -34.42 78.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.021 -0.363 . . . . 0.67 110.021 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 4.6 m -72.51 -42.01 65.27 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.74 109.774 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.527 ' HB3' HD13 ' A' 2112 ' ' LEU . 36.3 mmt180 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 112.52 0.563 . . . . 3.18 112.52 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2059 ' ' GLN . . . . . 0.624 ' O ' HD13 ' A' 2063 ' ' LEU . 56.6 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.16 0.029 . . . . 2.83 111.033 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.35 -36.86 69.25 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.935 0.346 . . . . 1.38 111.935 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -62.32 -51.96 65.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.517 0.675 . . . . 1.97 109.684 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 58.7 m -53.6 -58.21 8.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.576 -1.193 . . . . 0.83 111.121 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2063 ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' 2059 ' ' GLN . 8.3 mp -57.38 -38.82 74.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.793 0.664 . . . . 0.92 112.793 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.37 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 22.0 m -90.63 -33.31 15.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.42 109.492 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2066 ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 17.1 tp -54.32 -60.94 2.66 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.366 -0.833 . . . . 0.37 110.995 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2067 ' ' VAL . . . . . 0.533 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.5 p -54.41 -41.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.595 -0.73 . . . . 0.64 111.55 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.86 -51.9 62.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.082 -0.508 . . . . 0.29 110.862 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2069 ' ' ALA . . . . . 0.535 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.99 -31.91 72.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.897 0.379 . . . . 0.29 110.603 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2070 ' ' ALA . . . . . 0.658 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.21 -59.88 4.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.815 -0.629 . . . . 0.34 109.86 175.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2071 ' ' THR . . . . . 0.48 ' HB ' HD11 ' A' 2102 ' ' LEU . 7.3 t -66.41 -31.77 72.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.02 0.438 . . . . 0.38 111.004 -173.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2072 ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -74.17 -19.01 60.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.014 -0.539 . . . . 0.54 111.15 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 66.3 m -89.88 -39.54 12.98 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.548 0.203 . . . . 0.6 111.548 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2074 ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -64.77 -36.64 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 109.069 -0.715 . . . . 0.78 109.069 179.115 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2075 ' ' LEU . . . . . 0.4 HD21 HD13 ' A' 2094 ' ' ILE . 58.0 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.197 -0.911 . . . . 1.24 111.583 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2079 ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 56.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.074 -0.343 . . . . 1.52 110.074 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2080 ' ' PRO . . . . . 0.535 ' HB3' ' N ' ' A' 2069 ' ' ALA . 50.1 Cg_exo -56.99 -34.79 98.29 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.09 2.527 . . . . 0.7 112.318 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.42 -20.94 64.99 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.488 -0.778 . . . . 2.96 111.208 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 10.7 t -110.32 19.35 18.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 1.7 111.033 -176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2083 ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.3 mt -87.45 117.65 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 O-C-N 122.053 -0.404 . . . . 0.76 110.48 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2084 ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' 2125 ' ' PRO . 33.2 m -69.11 134.11 89.59 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.745 . . . . 0.42 111.002 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2085 ' ' PRO . . . . . 0.533 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 57.1 Cg_endo -67.92 -30.48 32.91 Favored 'Trans proline' 0 N--CA 1.471 0.172 0 C-N-CA 123.737 2.958 . . . . 0.36 113.938 -172.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -96.93 13.97 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.957 0.725 . . . . 0.47 112.957 -173.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2087 ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.2 m -90.93 152.51 20.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.174 0.511 . . . . 0.39 111.168 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2088 ' ' ALA . . . . . 0.466 ' O ' HD22 ' A' 2092 ' ' LEU . . . -83.99 139.21 32.69 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.32 109.408 176.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2089 ' ' PHE . . . . . 0.471 ' HB3' HG13 ' A' 2094 ' ' ILE . 13.6 m-85 -60.89 -25.54 66.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 0.48 112.18 -176.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -18.22 61.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 120.968 0.414 . . . . 2.91 110.879 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2091 ' ' ASP . . . . . 0.421 ' HB3' HG22 ' A' 2087 ' ' THR . 14.9 t70 -80.96 -29.45 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.329 -0.619 . . . . 1.88 109.329 174.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2092 ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' 2088 ' ' ALA . 0.6 OUTLIER -80.86 -23.24 39.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.73 110.818 178.074 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.57 11.22 5.61 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.364 -0.922 . . . . 0.27 113.463 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2094 ' ' ILE . . . . . 0.471 HG13 ' HB3' ' A' 2089 ' ' PHE . 26.0 mm -70.33 125.19 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.986 0.422 . . . . 0.28 112.089 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2095 ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' 2099 ' ' ALA . 22.9 m-20 -98.37 -168.58 1.67 Allowed 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.601 -0.727 . . . . 1.07 109.061 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -24.08 44.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 118.924 -1.11 . . . . 0.85 109.608 174.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.7 mt -75.58 -52.79 9.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.158 -0.928 . . . . 1.65 110.027 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.52 -12.01 60.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.301 -0.863 . . . . 0.27 111.825 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.12 -47.65 85.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 0.29 110.122 173.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2100 ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -70.81 -35.82 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.418 -0.355 . . . . 0.4 110.781 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2101 ' ' GLU . . . . . 0.571 ' N ' HD12 ' A' 2100 ' ' LEU . 6.7 mm-40 -58.74 -44.04 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.795 0.331 . . . . 0.72 111.396 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2102 ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.7 tt -56.61 -54.46 45.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.03 -0.532 . . . . 0.65 110.065 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2103 ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 60.2 ttp85 -55.41 -40.13 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 2.43 111.182 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2104 ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' 2101 ' ' GLU . 84.0 m-20 -51.22 -51.88 49.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.48 110.601 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.8 m -62.16 -45.4 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.51 110.821 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2106 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 2102 ' ' LEU . 73.0 mt -59.77 -44.51 93.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 1.13 111.326 -178.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 24.3 m -65.54 -41.93 92.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.929 -0.578 . . . . 0.81 110.867 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.38 -27.07 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.973 -0.558 . . . . 2.81 110.954 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -77.08 -48.13 18.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.158 0.504 . . . . 2.6 110.973 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 17.7 p -70.62 -41.03 72.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 1.03 111.438 -174.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.48 -31.07 8.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 1.05 112.731 175.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.4 pp -84.44 -177.65 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.963 0.411 . . . . 1.45 110.717 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.96 133.5 55.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.134 -0.484 . . . . 1.18 110.026 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2114 ' ' LEU . . . . . 0.637 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -135.06 177.17 2.36 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.772 -0.649 . . . . 2.95 109.424 -178.877 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2115 ' ' PRO . . . . . 0.637 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.6 Cg_endo -81.33 151.62 17.79 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.014 1.809 . . . . 1.1 112.83 -168.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2116 ' ' PRO . . . . . 0.469 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 35.1 Cg_endo -64.38 -16.66 56.3 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.108 2.539 . . . . 0.75 111.973 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 20.6 p -89.89 4.09 51.02 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.865 -0.607 . . . . 0.86 110.967 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2118 ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' 2115 ' ' PRO . 2.0 tm? -32.81 -62.09 0.26 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.68 0.792 . . . . 0.7 112.958 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2119 ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' 2099 ' ' ALA . 41.1 mm -75.04 -25.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.336 0.589 . . . . 0.5 110.838 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -73.7 -32.1 63.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.568 -0.742 . . . . 3.49 110.279 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.7 -51.65 8.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 2.0 111.124 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -126.66 72.58 74.3 Favored Pre-proline 0 N--CA 1.465 0.276 0 CA-C-O 119.359 -0.353 . . . . 0.71 111.61 -171.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -81.71 104.24 1.43 Allowed 'Trans proline' 0 N--CA 1.446 -1.293 0 CA-C-N 120.479 1.207 . . . . 0.43 111.581 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.55 140.68 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 124.573 1.149 . . . . 0.5 108.235 168.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2125 ' ' PRO . . . . . 0.533 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 51.9 Cg_exo -55.57 -58.15 1.25 Allowed 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 121.914 1.743 . . . . 0.25 112.216 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2126 ' ' HIS . . . . . 0.545 ' O ' ' HB ' ' A' 2129 ' ' THR . 71.6 t60 -69.17 -31.48 70.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.8 111.946 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.55 87.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.84 0.352 . . . . 0.34 110.636 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.26 -36.89 85.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.64 110.512 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2129 ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' 2126 ' ' HIS . 90.9 m -52.07 -52.61 50.06 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.33 110.009 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -63.73 -44.89 92.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.361 -0.836 . . . . 2.22 111.955 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2131 ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' 2135 ' ' ARG . 27.5 t-80 -58.17 -59.49 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.932 -0.307 . . . . 0.59 110.227 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2132 ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.8 mm? -65.03 -31.64 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.48 110.957 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.87 -45.9 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.867 -0.42 . . . . 0.67 109.867 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 11.0 m -66.07 -33.96 76.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.76 -0.655 . . . . 0.74 110.274 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2135 ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' 2131 ' ' HIS . 3.7 mmp_? . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.399 0.619 . . . . 3.18 110.556 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.983 -0.447 . . . . 6.58 111.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' 2049 ' ' MET . 67.9 p 52.62 91.53 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.846 0.858 . . . . 4.27 112.039 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 22.54 0.09 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.084 -0.962 . . . . 6.67 110.914 176.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.474 ' H ' ' C ' ' A' 2047 ' ' SER . 1.4 mpt? -82.02 18.57 1.31 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.546 -0.752 . . . . 3.75 112.215 -171.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -73.35 -10.7 60.02 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.63 0.729 . . . . 9.54 109.564 177.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 7.5 mp -83.24 22.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.294 -0.867 . . . . 6.31 110.087 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.0 p30 -58.65 153.09 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.585 -0.734 . . . . 4.71 111.246 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 112.39 10.52 17.24 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.112 -0.795 . . . . 3.43 111.112 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 97.7 mt -84.5 149.7 25.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.491 -0.354 . . . . 3.31 110.199 175.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 12.2 p -71.41 157.32 90.24 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 108.882 -0.784 . . . . 2.08 108.882 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.618 ' O ' ' HG3' ' A' 2060 ' ' GLN . 80.0 Cg_exo -43.34 -54.17 3.72 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.99 2.46 . . . . 1.78 113.18 -175.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -68.06 -28.98 67.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.58 0.585 . . . . 2.4 112.58 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -67.56 -33.48 75.12 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.238 0.542 . . . . 2.4 110.298 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.748 ' O ' ' HG ' ' A' 2063 ' ' LEU . 52.4 mt-30 -76.68 -45.47 29.53 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.024 -0.535 . . . . 2.83 109.738 173.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' 2056 ' ' PRO . 91.5 mt-30 -54.32 -44.5 72.09 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 112.406 0.521 . . . . 1.38 112.406 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.59 -40.26 86.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 1.97 110.567 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' 2059 ' ' GLN . 84.9 m -57.93 -43.85 86.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.83 110.756 173.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' 2059 ' ' GLN . 17.6 mt -78.43 -36.89 44.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.376 -0.829 . . . . 0.92 111.292 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.21 -24.37 67.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.169 0.509 . . . . 0.37 110.419 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -82.42 -38.39 24.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.18 -0.674 . . . . 0.42 109.18 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.97 -63.94 1.12 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.261 -0.881 . . . . 0.37 111.385 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.35 -38.9 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 0.64 111.596 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.05 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.549 -0.296 . . . . 0.29 110.905 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.465 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.97 -32.72 74.12 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.1 0.476 . . . . 0.29 109.96 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.97 -56.83 13.68 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.339 -0.846 . . . . 0.34 110.353 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.571 ' HB ' HD11 ' A' 2102 ' ' LEU . 14.0 t -68.08 -36.36 79.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.014 0.435 . . . . 0.38 111.417 -174.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.617 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -68.25 -22.84 64.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.1 -0.5 . . . . 0.54 110.565 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 54.4 m -81.01 -42.16 21.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.6 111.499 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -62.48 -36.73 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.353 0.596 . . . . 0.78 109.816 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 42.2 mt -90.62 -11.15 40.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.528 -0.76 . . . . 1.24 111.978 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 61.5 47.54 90.04 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.801 -0.636 . . . . 1.3 113.11 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.599 ' O ' ' HB1' ' A' 2072 ' ' ALA . 0.0 OUTLIER -154.44 162.43 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.871 0.335 . . . . 2.09 111.212 -174.422 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 26.5 t60 69.21 135.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.351 1.241 . . . . 5.96 114.351 160.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 22.8 m -65.56 119.91 63.98 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.286 -0.87 . . . . 1.52 109.731 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' 2069 ' ' ALA . 52.8 Cg_exo -57.78 -29.56 86.28 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.031 2.487 . . . . 0.7 112.566 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.02 -21.9 66.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 2.96 110.646 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.7 t -100.57 6.9 44.28 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.539 -0.755 . . . . 1.7 111.122 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' 2072 ' ' ALA . 11.5 mt -83.58 111.03 19.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.899 0.38 . . . . 0.76 110.189 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.449 ' HB2' ' OG1' ' A' 2087 ' ' THR . 25.3 m -74.31 126.5 88.92 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.822 -0.626 . . . . 0.42 111.427 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.523 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 18.4 Cg_endo -59.59 -38.79 79.99 Favored 'Trans proline' 0 CA--C 1.516 -0.394 0 C-N-CA 123.954 3.103 . . . . 0.36 113.671 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -71.96 -5.79 37.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.671 -0.695 . . . . 0.47 112.147 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.469 ' O ' HG22 ' A' 2124 ' ' THR . 3.7 m -90.28 153.1 20.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.214 0.531 . . . . 0.39 110.861 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.414 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.25 142.82 27.06 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.477 -0.783 . . . . 0.32 110.083 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.492 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.2 m-85 -54.36 -29.72 49.26 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.323 0.389 . . . . 0.48 110.915 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -42.8 -63.61 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.22 -0.9 . . . . 2.91 110.605 168.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.97 -37.61 83.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.931 -1.486 . . . . 1.88 112.103 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' 2088 ' ' ALA . 0.9 OUTLIER -67.55 -21.44 65.46 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.664 0.246 . . . . 0.73 111.664 -178.474 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.09 10.62 8.04 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.421 -0.895 . . . . 0.27 112.767 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 33.7 mm -77.73 131.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.951 0.405 . . . . 0.28 111.685 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2095 ' ' ASP . . . . . 0.515 ' HB2' HD12 ' A' 2097 ' ' LEU . 29.2 m-20 -107.0 -162.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.012 -0.736 . . . . 1.07 109.012 172.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -34.17 51.57 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.06 -0.656 . . . . 0.85 111.371 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.61 -44.03 58.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.938 -0.573 . . . . 1.65 110.512 -177.652 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.89 -16.08 58.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.245 -0.434 . . . . 0.27 111.806 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.521 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.74 -48.54 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.29 110.417 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -70.69 -36.02 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.278 -0.419 . . . . 0.4 110.562 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.474 ' N ' HD12 ' A' 2100 ' ' LEU . 8.4 mm-40 -62.13 -38.84 90.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.864 0.364 . . . . 0.72 111.39 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.571 HD11 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -58.09 -53.81 54.01 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.824 -0.436 . . . . 0.65 109.824 173.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 50.3 ttp85 -53.74 -49.52 67.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.826 . . . . 2.43 109.791 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.42 HD22 ' HA ' ' A' 2101 ' ' GLU . 93.9 m-20 -48.95 -49.37 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.567 -0.742 . . . . 0.48 110.943 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 53.5 m -61.6 -53.15 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.51 111.743 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' 2102 ' ' LEU . 3.2 pp -72.67 -19.83 61.36 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.687 -0.405 . . . . 1.13 111.528 -176.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 93.5 m -73.71 -39.92 63.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 0.81 109.87 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -67.83 -24.36 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 2.81 110.673 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -91.69 -7.09 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.118 -0.492 . . . . 2.6 111.795 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 14.9 p -108.83 -29.69 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.758 0.281 . . . . 1.03 111.758 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.51 6.02 86.26 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.806 -0.712 . . . . 1.05 112.939 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 2.1 pp -109.88 -169.78 1.53 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.704 -0.292 . . . . 1.45 110.51 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -113.88 137.94 50.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.339 -0.391 . . . . 1.18 110.182 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' 2114 ' ' LEU . 3.9 tp -133.71 141.03 38.5 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.226 -0.443 . . . . 2.95 110.635 -172.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.57 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -66.94 144.09 68.91 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.191 2.594 . . . . 1.1 112.487 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.2 -5.96 12.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.956 2.437 . . . . 0.75 112.359 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.3 p -98.49 3.23 48.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.591 . . . . 0.86 110.106 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.7 OUTLIER -39.34 -64.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.387 -1.279 . . . . 0.7 112.635 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' 2099 ' ' ALA . 39.0 mm -73.89 -25.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 0.5 110.83 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.22 -36.52 83.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.914 -0.585 . . . . 3.49 110.294 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.86 -44.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 2.0 112.605 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2122 ' ' HIS . . . . . 0.416 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 7.9 m-70 -128.42 64.19 66.79 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 120.393 -0.523 . . . . 0.71 111.925 -172.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' 2124 ' ' THR . 59.5 Cg_endo -82.87 106.58 1.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 CA-C-N 119.972 1.026 . . . . 0.43 112.995 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.676 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p -176.67 158.99 1.58 Allowed Pre-proline 0 C--O 1.236 0.342 0 N-CA-C 105.786 -1.931 . . . . 0.5 105.786 164.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.501 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.3 Cg_exo -61.75 -38.97 56.43 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 120.427 1.188 . . . . 0.25 109.825 169.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 68.1 t60 -62.51 -55.95 22.63 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.19 -0.913 . . . . 0.8 112.484 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2127 ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -59.3 -40.06 85.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.303 . . . . 0.34 111.696 -173.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' 2119 ' ' ILE . 24.7 mt -67.3 -35.28 79.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.788 -0.365 . . . . 0.64 110.682 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.527 HG23 ' HB2' ' A' 2063 ' ' LEU . 63.8 m -54.49 -41.0 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.252 0.549 . . . . 0.33 110.6 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -47.88 35.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.51 -0.768 . . . . 2.22 110.077 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' 2135 ' ' ARG . 79.8 t60 -59.62 -50.22 74.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.973 -0.558 . . . . 0.59 110.573 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.436 ' O ' HD13 ' A' 2136 ' ' LEU . 3.9 mm? -68.33 -28.22 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.596 -0.274 . . . . 0.48 111.064 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -62.62 -46.41 88.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.562 -0.532 . . . . 0.67 109.562 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' 2138 ' ' GLN . 9.6 m -65.65 -36.49 83.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.74 110.562 176.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 2131 ' ' HIS . 7.0 mmp_? -64.29 -27.73 69.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 3.18 111.429 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.456 ' HG ' ' HG2' ' A' 2049 ' ' MET . 1.5 mp -91.39 -36.7 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.211 -0.449 . . . . 2.37 111.948 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 40.1 p -90.52 -47.53 7.65 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.448 0.642 . . . . 1.41 111.062 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.2 OUTLIER -81.93 -26.68 33.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.062 -0.972 . . . . 2.57 111.551 -175.1 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2139 ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' 2135 ' ' ARG . 14.5 m -117.74 137.42 52.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.865 0.364 . . . . 3.48 110.977 -178.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.3 p80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.216 -0.897 . . . . 6.78 110.343 177.098 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.111 -0.396 . . . . 6.58 112.111 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' 2109 ' ' ASN . 77.9 p -102.0 155.74 17.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.964 0.411 . . . . 4.27 110.033 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -81.21 15.47 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.164 0.507 . . . . 6.67 110.418 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.477 ' HE3' HD12 ' A' 2136 ' ' LEU . 49.1 mtt -80.2 -19.6 46.64 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 115.517 -0.765 . . . . 3.75 110.418 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -81.22 -5.79 58.14 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.097 -0.956 . . . . 9.54 109.581 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 8.1 mp -104.58 22.48 14.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.986 -1.006 . . . . 6.31 109.465 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.42 150.63 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.193 -0.912 . . . . 4.71 110.873 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.49 3.75 27.11 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.667 -0.573 . . . . 3.43 111.667 -175.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.87 153.16 23.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.099 0.476 . . . . 3.31 110.984 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.3 m -77.71 154.08 80.95 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.101 -0.703 . . . . 2.08 109.101 174.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.417 ' O ' ' HG3' ' A' 2060 ' ' GLN . 92.5 Cg_exo -42.89 -55.85 2.52 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.21 2.607 . . . . 1.78 113.544 -176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.89 -29.78 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.324 0.491 . . . . 2.4 112.324 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -66.64 -39.84 88.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 2.4 110.546 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.632 ' O ' HD13 ' A' 2063 ' ' LEU . 26.9 mt-30 -77.97 -48.67 15.71 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.969 -0.559 . . . . 2.83 110.746 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' 2056 ' ' PRO . 99.1 mt-30 -48.26 -44.56 33.56 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 112.845 0.683 . . . . 1.38 112.845 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.28 -43.93 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 1.97 110.957 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 64.3 m -60.5 -56.59 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.83 110.791 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' 2059 ' ' GLN . 6.1 mp -61.22 -37.23 82.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.602 -0.726 . . . . 0.92 112.084 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.19 -26.59 67.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.37 110.801 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 27.9 m -83.2 -38.04 22.82 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.18 -0.674 . . . . 0.42 109.18 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.8 tp -55.31 -61.16 2.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.435 -0.802 . . . . 0.37 110.843 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' 2063 ' ' LEU . 6.2 p -56.48 -42.97 76.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.38 -0.827 . . . . 0.64 111.735 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.52 80.44 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.487 -0.19 . . . . 0.29 110.487 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.512 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.71 -40.01 90.71 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.812 0.339 . . . . 0.29 110.221 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.716 ' O ' HG13 ' A' 2074 ' ' VAL . . . -60.56 -56.81 16.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.724 -0.671 . . . . 0.34 110.845 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.454 ' CB ' HD11 ' A' 2102 ' ' LEU . 4.6 t -68.17 -25.32 65.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.215 0.531 . . . . 0.38 110.781 -175.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -76.07 -34.07 59.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.675 . . . . 0.54 111.236 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 92.4 m -78.91 -42.07 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.086 0.402 . . . . 0.6 112.086 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.716 HG13 ' O ' ' A' 2070 ' ' ALA . 1.8 m -60.66 -34.72 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.697 0.76 . . . . 0.78 109.572 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 61.9 mt -87.64 -36.2 17.6 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.825 -1.079 . . . . 1.24 111.109 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 60.86 80.45 0.1 OUTLIER Glycine 0 CA--C 1.512 -0.134 0 N-CA-C 111.533 -0.627 . . . . 1.3 111.533 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.35 -8.04 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.603 0.964 . . . . 2.09 113.603 -168.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.488 ' O ' ' HB1' ' A' 2072 ' ' ALA . 18.9 t60 -156.3 143.19 18.81 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.706 -0.797 . . . . 5.96 112.003 -167.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 24.0 m -73.93 131.52 81.37 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.214 -0.661 . . . . 1.52 109.214 174.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.512 ' HB3' ' N ' ' A' 2069 ' ' ALA . 12.8 Cg_exo -67.44 -28.79 38.54 Favored 'Trans proline' 0 CA--C 1.513 -0.527 0 C-N-CA 122.773 2.315 . . . . 0.7 110.785 -173.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.12 -29.11 70.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.231 -1.35 . . . . 2.96 110.245 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 38.7 t -101.95 12.32 37.12 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.055 -0.975 . . . . 1.7 111.125 -172.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.8 mt -84.11 128.27 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 0.76 111.046 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' 2125 ' ' PRO . 15.2 m -83.97 125.0 73.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.622 -0.717 . . . . 0.42 111.024 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.487 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 40.3 Cg_endo -63.49 -32.71 70.41 Favored 'Trans proline' 0 N--CA 1.473 0.306 0 C-N-CA 123.712 2.941 . . . . 0.36 113.929 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.66 -11.45 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.344 0.498 . . . . 0.47 112.344 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.6 m -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.485 0.66 . . . . 0.39 111.062 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.402 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.08 138.93 30.97 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.13 -0.941 . . . . 0.32 110.045 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.527 ' HB3' HG13 ' A' 2094 ' ' ILE . 7.6 m-30 -53.15 -30.37 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.469 -0.787 . . . . 0.48 112.523 -177.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -58.62 -40.19 82.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 2.91 110.81 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.49 -30.32 65.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.39 -0.823 . . . . 1.88 110.522 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.4 mm? -78.06 -21.75 50.15 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.501 -0.318 . . . . 0.73 110.915 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.96 2.51 6.09 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.229 -0.986 . . . . 0.27 113.932 173.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.527 HG13 ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -65.39 128.17 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.26 0.53 . . . . 0.28 112.063 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -107.68 -174.11 2.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.672 -0.862 . . . . 1.07 108.672 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -27.73 64.5 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.645 -0.822 . . . . 0.85 109.924 176.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.749 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.1 mt -64.53 -58.99 4.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.96 . . . . 1.65 110.709 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.92 60.75 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.771 -0.649 . . . . 0.27 112.199 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -61.87 -34.61 76.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.189 -0.459 . . . . 0.29 111.117 174.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -76.65 -42.28 42.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.306 -0.557 . . . . 0.4 110.635 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.511 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -60.38 -39.66 88.08 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.72 111.398 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' 2094 ' ' ILE . 0.9 OUTLIER -62.29 -52.56 63.23 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.908 -0.587 . . . . 0.65 110.859 -179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.684 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 14.8 ptt-85 -68.14 -24.09 64.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.758 -0.377 . . . . 2.43 110.267 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' 2101 ' ' GLU . 79.3 m-20 -58.05 -46.82 84.76 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.018 0.437 . . . . 0.48 109.914 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.6 m -72.81 -42.26 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.911 -0.586 . . . . 0.51 111.165 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' 2067 ' ' VAL . 93.9 mt -61.64 -55.8 26.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.944 0.402 . . . . 1.13 111.605 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 6.7 m -66.93 -27.48 67.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 0.81 110.798 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -68.23 -30.13 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 2.81 110.976 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' 2047 ' ' SER . 25.2 t-20 -76.9 -20.93 55.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.579 0.704 . . . . 2.6 110.776 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.502 HG21 HD12 ' A' 2132 ' ' LEU . 1.3 p -110.67 -37.18 5.52 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 113.369 0.877 . . . . 1.03 113.369 -174.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 102.82 0.97 49.08 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.289 -0.958 . . . . 1.05 114.325 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.526 HD22 ' H ' ' A' 2112 ' ' LEU . 0.1 OUTLIER -66.67 -170.29 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 122.13 0.967 . . . . 1.45 110.855 175.558 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.16 131.17 48.84 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.486 -1.233 . . . . 1.18 110.165 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.96 108.25 1.51 Allowed Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.618 -0.719 . . . . 2.95 112.611 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.493 ' HG2' HD23 ' A' 2118 ' ' LEU . 57.7 Cg_endo -92.06 126.85 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.197 2.598 . . . . 1.1 112.031 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.684 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 21.7 Cg_endo -61.86 -10.42 17.27 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.359 2.039 . . . . 0.75 112.343 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2117 ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 16.7 p -103.39 2.44 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.86 112.11 -174.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.6 tm? -49.93 -66.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 0.7 111.857 -175.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.542 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.2 mm -79.72 -15.05 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.467 0.651 . . . . 0.5 110.307 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2120 ' ' PHE . . . . . 0.46 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.1 m-85 -72.68 -36.65 67.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.63 -0.714 . . . . 3.49 110.389 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -37.6 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 2.0 112.098 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -132.1 62.01 61.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.266 -0.574 . . . . 0.71 112.422 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' 2089 ' ' PHE . 64.0 Cg_endo -82.09 105.47 1.49 Allowed 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.499 1.214 . . . . 0.43 111.095 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.75 147.29 0.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.711 -0.848 . . . . 0.5 108.711 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.487 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.1 Cg_exo -62.76 -57.91 0.38 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 121.385 1.39 . . . . 0.25 111.523 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.453 ' O ' ' HB ' ' A' 2129 ' ' THR . 79.6 t60 -64.49 -41.96 96.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 0.8 111.779 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.644 0.259 . . . . 0.34 111.204 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' 2106 ' ' LEU . 42.3 mt -62.16 -34.81 77.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.64 110.846 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' 2126 ' ' HIS . 89.5 m -53.32 -48.11 68.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.051 0.453 . . . . 0.33 110.07 176.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' 2126 ' ' HIS . 8.1 mm100 -63.46 -36.43 83.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.434 -0.803 . . . . 2.22 111.118 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.563 ' O ' ' HG2' ' A' 2135 ' ' ARG . 46.9 t60 -62.34 -55.72 25.37 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 0.59 110.293 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.502 HD12 HG21 ' A' 2110 ' ' THR . 2.7 mm? -71.15 -25.72 62.68 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.678 -0.409 . . . . 0.48 110.709 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -63.85 -42.85 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.856 -0.424 . . . . 0.67 109.856 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.658 ' O ' ' HG2' ' A' 2138 ' ' GLN . 58.7 m -64.54 -37.0 86.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.881 -0.599 . . . . 0.74 110.61 176.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.9 mmp_? -57.66 -33.24 68.12 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.143 0.497 . . . . 3.18 110.876 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.477 HD12 ' HE3' ' A' 2049 ' ' MET . 10.2 mp -84.36 -41.2 16.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.507 -0.769 . . . . 2.37 111.003 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2137 ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' 2134 ' ' THR . 21.1 p -70.75 -9.79 58.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.231 0.538 . . . . 1.41 110.853 -178.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' 2134 ' ' THR . 23.2 mm-40 -59.14 -22.59 61.15 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.446 -0.797 . . . . 2.57 110.728 171.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 3.5 m -84.93 75.18 10.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 3.48 110.51 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 14.7 p-80 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.683 -0.675 . . . . 6.78 111.291 178.397 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.616 ' O26' ' HG ' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 112.013 -0.435 . . . . 6.58 112.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 10.5 m -102.3 136.28 42.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.811 0.339 . . . . 4.27 110.512 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' 2051 ' ' LEU . 0.3 OUTLIER -68.85 -6.67 28.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.348 0.594 . . . . 6.67 110.955 -179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.59 ' HG3' HD22 ' A' 2136 ' ' LEU . 15.1 mmt -60.42 -57.68 11.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.887 -1.051 . . . . 3.75 111.597 -176.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.424 ' O ' ' HD3' ' A' 2050 ' ' ARG . 2.7 tmt_? -71.62 -18.14 62.23 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.392 -1.276 . . . . 9.54 110.186 -174.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' 2048 ' ' HIS . 51.4 mt -75.11 -51.04 14.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 6.31 111.202 -175.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -92.27 114.68 27.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.274 0.472 . . . . 4.71 112.274 -173.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 38.9 38.93 0.8 Allowed Glycine 0 C--N 1.339 0.72 0 N-CA-C 116.192 1.237 . . . . 3.43 116.192 168.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' 2054 ' ' LEU . 0.1 OUTLIER -100.35 112.08 24.4 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.784 1.278 . . . . 3.31 112.065 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.533 ' O ' HD22 ' A' 2054 ' ' LEU . 7.0 m -102.83 150.63 37.94 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 112.525 -2.125 . . . . 2.08 106.087 163.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' 2060 ' ' GLN . 50.2 Cg_exo -37.28 -43.78 1.21 Allowed 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.27 2.647 . . . . 1.78 114.982 -171.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.24 -30.05 64.51 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.681 0.623 . . . . 2.4 112.681 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.497 ' HG3' ' H ' ' A' 2055 ' ' SER . 18.4 mm-40 -55.39 -51.24 67.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.942 0.401 . . . . 2.4 111.579 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.688 ' O ' HD13 ' A' 2063 ' ' LEU . 15.4 mm-40 -77.58 -35.31 53.15 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.733 -0.387 . . . . 2.83 111.73 -176.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' 2056 ' ' PRO . 77.7 mt-30 -53.41 -47.56 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.168 0.432 . . . . 1.38 112.168 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.477 -0.489 . . . . 1.97 110.907 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -60.03 4.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.83 110.802 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.688 HD13 ' O ' ' A' 2059 ' ' GLN . 5.3 mp -59.43 -37.41 78.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.28 -0.873 . . . . 0.92 112.152 -177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.37 110.828 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 34.9 m -83.3 -40.7 19.18 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.283 -0.636 . . . . 0.42 109.283 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.0 tp -55.11 -62.05 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.147 -0.933 . . . . 0.37 111.11 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -57.76 -41.25 79.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.023 -0.535 . . . . 0.64 111.487 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.535 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -61.74 -49.16 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.144 -0.48 . . . . 0.29 110.945 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.422 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.16 -31.48 71.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.5 -0.318 . . . . 0.29 110.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 2074 ' ' VAL . . . -62.16 -64.52 0.91 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.34 109.718 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2071 ' ' THR . . . . . . . . . . . . . 11.2 t -59.81 -32.07 70.3 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.741 -0.663 . . . . 0.38 111.603 -174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.56 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -72.31 -33.21 67.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.869 -0.605 . . . . 0.54 111.455 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 88.0 m -81.63 -32.78 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.301 0.375 . . . . 0.6 111.669 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.595 HG12 HG22 ' A' 2098 ' ' THR . 1.5 t -51.84 -60.14 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.325 0.584 . . . . 0.78 109.807 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' 2075 ' ' LEU . 9.7 mp -73.44 -41.01 63.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.255 -0.884 . . . . 1.24 111.468 175.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 72.35 85.69 0.2 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.662 -0.975 . . . . 1.3 110.662 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 -3.65 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.589 0.959 . . . . 2.09 113.589 -169.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.46 ' O ' ' HB1' ' A' 2072 ' ' ALA . 16.8 t60 -152.18 144.63 24.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.651 -0.82 . . . . 5.96 111.778 -168.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.414 HG22 ' H ' ' A' 2081 ' ' GLU . 10.8 m -73.74 128.38 86.95 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.498 -0.774 . . . . 1.52 109.07 171.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.422 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 24.5 Cg_exo -63.96 -23.18 68.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.627 2.218 . . . . 0.7 110.928 -177.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2081 ' ' GLU . . . . . 0.414 ' H ' HG22 ' A' 2079 ' ' THR . 10.4 mm-40 -72.09 -18.63 61.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.547 -1.206 . . . . 2.96 110.478 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.8 t -110.57 7.48 22.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.207 -0.906 . . . . 1.7 111.104 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' 2072 ' ' ALA . 7.3 mm -70.72 112.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 122.009 -0.432 . . . . 0.76 109.911 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.467 ' HB2' ' OG1' ' A' 2087 ' ' THR . 16.7 m -72.56 125.66 91.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.487 . . . . 0.42 110.57 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 54.5 Cg_endo -66.05 -32.18 44.47 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.701 2.934 . . . . 0.36 113.823 -174.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -83.23 -15.26 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.218 -0.446 . . . . 0.47 112.055 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.3 m -75.8 153.08 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.434 0.635 . . . . 0.39 110.771 -177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.74 144.57 25.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.425 -0.807 . . . . 0.32 109.863 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.463 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 32.1 m-85 -57.88 -28.35 64.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.461 -0.336 . . . . 0.48 110.792 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.87 -52.34 24.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.606 -0.725 . . . . 2.91 109.949 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.02 -28.29 57.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.685 -1.143 . . . . 1.88 112.176 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' 2088 ' ' ALA . 0.4 OUTLIER -70.24 -20.56 63.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.027 -0.269 . . . . 0.73 110.889 176.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.42 4.41 13.7 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.748 -0.739 . . . . 0.27 112.285 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 32.2 mm -70.86 135.12 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.968 0.413 . . . . 0.28 111.319 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.15 -169.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.901 -0.777 . . . . 1.07 108.901 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2096 ' ' SER . . . . . 0.565 ' HB3' ' S1 ' ' A' 2201 ' ' 66S . 0.0 OUTLIER -69.55 -24.71 63.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.85 110.115 177.373 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.0 mt -76.51 -48.44 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.446 -1.252 . . . . 1.65 110.308 -175.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.595 HG22 HG12 ' A' 2074 ' ' VAL . 1.2 p -82.26 -16.83 48.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.411 -0.813 . . . . 0.27 112.068 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.73 -42.04 87.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.068 0.461 . . . . 0.29 110.664 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.4 pp -73.7 -40.97 63.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.647 -0.421 . . . . 0.4 110.296 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.489 ' HA ' HD22 ' A' 2104 ' ' ASN . 16.7 mm-40 -58.63 -38.98 79.24 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 120.65 0.262 . . . . 0.72 111.307 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.477 HD22 HD11 ' A' 2106 ' ' LEU . 1.3 tt -61.49 -57.93 10.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.295 -0.411 . . . . 0.65 110.487 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -67.21 -20.48 65.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.277 -0.42 . . . . 2.43 111.253 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.489 HD22 ' HA ' ' A' 2101 ' ' GLU . 61.0 m-20 -57.18 -50.67 72.1 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.008 -0.367 . . . . 0.48 110.008 172.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.0 m -74.36 -36.79 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.531 . . . . 0.51 111.15 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.477 HD11 HD22 ' A' 2102 ' ' LEU . 89.8 mt -57.88 -49.54 76.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.947 0.403 . . . . 1.13 110.739 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.9 m -68.96 -33.42 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.81 110.431 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -62.31 -42.76 99.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.859 -0.61 . . . . 2.81 110.364 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.77 -35.94 77.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.892 -0.594 . . . . 2.6 110.947 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.737 ' HB ' HD21 ' A' 2136 ' ' LEU . 19.7 p -88.13 -34.67 17.79 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.773 -0.648 . . . . 1.03 112.729 -170.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.27 5.07 63.99 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.86 -0.686 . . . . 1.05 112.075 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.6 -170.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 1.45 110.913 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2113 ' ' ASP . . . . . 0.645 ' O ' ' HD3' ' A' 2115 ' ' PRO . 12.6 t70 -99.02 139.12 35.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.341 -0.845 . . . . 1.18 109.105 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 60.0 tp -79.37 106.21 4.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.542 0.571 . . . . 2.95 112.542 -172.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' A' 2113 ' ' ASP . 72.2 Cg_endo -91.45 136.73 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.025 2.483 . . . . 1.1 112.148 175.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.8 -5.5 17.31 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.34 2.026 . . . . 0.75 112.096 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2117 ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' 2120 ' ' PHE . 4.8 p -102.85 2.6 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.86 111.579 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.471 HD23 ' HG2' ' A' 2115 ' ' PRO . 0.9 OUTLIER -52.28 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 0.7 111.799 -176.658 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' 2099 ' ' ALA . 31.3 mm -81.27 -14.62 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.625 . . . . 0.5 109.957 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2120 ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' 2117 ' ' THR . 68.7 t80 -69.11 -53.92 17.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 3.49 110.486 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.25 -41.04 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.509 -0.769 . . . . 2.0 111.786 -172.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.76 58.2 10.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 118.98 -0.533 . . . . 0.71 111.906 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -81.24 104.3 1.5 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 CA-C-N 121.159 1.45 . . . . 0.43 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 146.39 0.61 Allowed Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 124.655 1.182 . . . . 0.5 107.834 170.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.483 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -60.81 -53.6 2.56 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 121.608 1.539 . . . . 0.25 111.422 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.485 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 78.3 t60 -66.87 -34.57 78.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.8 111.932 -178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.51 74.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.724 0.297 . . . . 0.34 111.069 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.2 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.459 -0.337 . . . . 0.64 110.179 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' 2133 ' ' HIS . 89.0 m -56.59 -36.54 69.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.33 110.707 175.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.32 -46.16 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 2.22 110.497 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.559 ' O ' ' HG2' ' A' 2135 ' ' ARG . 64.0 t60 -58.91 -55.96 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.59 110.573 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.9 mm? -65.91 -28.25 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.823 -0.626 . . . . 0.48 110.833 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2133 ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' 2129 ' ' THR . 15.6 t-80 -63.36 -39.97 95.99 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.921 -0.4 . . . . 0.67 109.921 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 26.0 m -72.59 -39.96 66.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.001 -0.545 . . . . 0.74 110.495 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.3 mmp_? -57.06 -41.95 79.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 3.18 110.856 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.737 HD21 ' HB ' ' A' 2110 ' ' THR . 95.4 mt -83.16 -18.3 39.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.826 -1.079 . . . . 2.37 112.099 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 38.4 p -100.17 -19.8 16.26 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.143 0.496 . . . . 1.41 110.741 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -75.38 -47.46 27.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.583 -0.735 . . . . 2.57 110.712 176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 47.8 t -96.45 102.44 14.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.128 -0.487 . . . . 3.48 109.844 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.4 p80 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 118.11 -0.947 . . . . 6.78 110.859 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.565 ' S1 ' ' HB3' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.199 -0.36 . . . . 6.58 112.199 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 23.6 p -141.61 156.28 45.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.9 0.381 . . . . 4.27 110.215 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 3.9 p80 -84.43 22.01 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.391 0.615 . . . . 6.67 110.645 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.526 ' HG2' HD12 ' A' 2136 ' ' LEU . 0.1 OUTLIER -95.58 13.04 27.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.37 -0.832 . . . . 3.75 111.534 -174.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.424 ' C ' ' H ' ' A' 2052 ' ' ASN . 38.8 mmt180 -80.47 6.6 11.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.304 0.574 . . . . 9.54 110.942 -173.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' 2051 ' ' LEU . 4.0 mm? -77.06 27.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.357 -0.838 . . . . 6.31 111.314 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' 2050 ' ' ARG . 7.6 p30 -39.86 150.02 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.876 0.87 . . . . 4.71 112.261 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.19 0.64 29.84 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.057 -1.217 . . . . 3.43 110.057 -169.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' 2059 ' ' GLN . 2.2 pp -74.86 138.39 42.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.369 -0.916 . . . . 3.31 110.059 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 10.6 t -79.16 143.78 61.53 Favored Pre-proline 0 C--N 1.318 -0.798 0 N-CA-C 107.213 -1.403 . . . . 2.08 107.213 168.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.434 ' O ' ' HG3' ' A' 2060 ' ' GLN . 49.5 Cg_exo -38.31 -44.19 1.98 Allowed 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.618 2.879 . . . . 1.78 114.708 -173.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.428 ' HA ' ' HB2' ' A' 2060 ' ' GLN . 95.7 mt-30 -69.4 -17.86 63.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.495 0.554 . . . . 2.4 112.495 -176.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' 2061 ' ' GLN . 81.1 mm-40 -59.77 -59.01 6.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.933 0.397 . . . . 2.4 110.372 177.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.678 ' O ' HD13 ' A' 2063 ' ' LEU . 4.8 mt-30 -65.19 -41.2 94.82 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.215 -0.448 . . . . 2.83 110.981 176.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' 2056 ' ' PRO . 96.1 mt-30 -53.83 -42.45 68.47 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.494 0.554 . . . . 1.38 112.494 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' 2058 ' ' GLN . 29.0 pt20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.994 -0.682 . . . . 1.97 110.696 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.2 m -55.68 -57.98 9.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.83 110.96 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' 2059 ' ' GLN . 5.8 mp -59.27 -36.88 76.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.669 -0.696 . . . . 0.92 111.719 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.76 74.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.957 0.408 . . . . 0.37 111.02 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.2 m -80.95 -37.93 28.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.35 -0.611 . . . . 0.42 109.35 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 16.6 tp -55.72 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.994 -1.003 . . . . 0.37 110.983 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -57.07 -41.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.64 111.374 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.29 111.148 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.41 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -67.08 -32.2 73.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.344 -0.389 . . . . 0.29 110.616 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.672 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.99 -61.13 2.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.34 110.153 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.454 ' HB ' HD11 ' A' 2102 ' ' LEU . 13.7 t -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.851 -0.613 . . . . 0.38 111.145 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -70.3 -23.42 62.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.54 111.624 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.3 m -90.22 -35.3 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.904 0.335 . . . . 0.6 111.904 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -65.69 -37.47 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.229 -0.656 . . . . 0.78 109.229 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 62.7 mt -88.16 -34.07 17.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.086 -0.961 . . . . 1.24 111.153 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 59.91 81.11 0.08 OUTLIER Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.056 -0.592 . . . . 1.3 111.64 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.38 3.37 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.425 0.898 . . . . 2.09 113.425 -169.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.432 ' O ' ' HB1' ' A' 2072 ' ' ALA . 44.4 t60 -162.36 145.5 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.562 -0.855 . . . . 5.96 112.143 -169.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 97.9 m -72.59 122.11 86.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.561 -0.745 . . . . 1.52 109.804 172.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.437 ' O ' ' HB1' ' A' 2068 ' ' ALA . 50.4 Cg_exo -55.71 -35.39 93.16 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.49 2.793 . . . . 0.7 112.5 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.92 -25.77 65.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.939 -0.573 . . . . 2.96 111.203 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 14.7 t -106.02 14.98 27.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.499 . . . . 1.7 111.419 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.1 mm -72.69 112.87 9.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.909 -0.404 . . . . 0.76 109.909 175.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.6 m -73.48 125.75 90.42 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.195 0.521 . . . . 0.42 111.073 -176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.435 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 59.8 Cg_endo -67.56 -32.46 31.17 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.813 3.009 . . . . 0.36 114.257 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.26 -13.54 58.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.18 0.437 . . . . 0.47 112.18 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.6 m -83.6 151.55 25.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.127 0.489 . . . . 0.39 110.493 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -90.61 141.73 28.48 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.656 . . . . 0.32 109.751 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.447 ' HZ ' ' CG2' ' A' 2067 ' ' VAL . 28.3 m-85 -52.13 -31.75 32.41 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.295 0.372 . . . . 0.48 111.291 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -49.89 -55.4 14.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.288 -0.869 . . . . 2.91 110.479 173.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.4 -28.92 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 1.88 111.597 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' 2089 ' ' PHE . 0.5 OUTLIER -66.48 -21.26 66.19 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 122.257 -0.277 . . . . 0.73 111.462 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.83 -9.19 9.16 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.631 -0.795 . . . . 0.27 112.141 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' 2089 ' ' PHE . 28.2 mm -61.54 130.81 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 122.847 0.459 . . . . 0.28 111.603 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -103.42 -169.67 1.68 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.727 -0.842 . . . . 1.07 108.727 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -25.82 59.45 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.745 0.783 . . . . 0.85 109.324 174.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' A' 2100 ' ' LEU . 29.5 mt -72.31 -51.38 21.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.332 -1.304 . . . . 1.65 110.661 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -13.73 59.82 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.665 -0.698 . . . . 0.27 111.936 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' 2119 ' ' ILE . . . -59.75 -39.62 85.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.29 110.794 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -73.8 -41.56 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.588 -0.445 . . . . 0.4 110.504 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' 2100 ' ' LEU . 9.4 mm-40 -59.56 -40.1 86.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.046 0.45 . . . . 0.72 111.479 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.1 tt -59.8 -55.02 39.46 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.65 110.655 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.58 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 19.1 ptt-85 -68.52 -22.21 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 2.43 110.868 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.47 HD22 ' HA ' ' A' 2101 ' ' GLU . 75.0 m-20 -58.74 -47.03 86.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.554 -0.536 . . . . 0.48 109.554 172.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2105 ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' 2109 ' ' ASN . 10.1 m -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.51 110.598 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 2102 ' ' LEU . 77.7 mt -56.57 -49.03 76.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 1.13 111.419 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 98.4 m -66.03 -42.76 89.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.418 . . . . 0.81 111.356 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.3 -29.84 65.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.222 -0.444 . . . . 2.81 110.65 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.4 t-20 -82.26 -11.62 58.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.83 -0.623 . . . . 2.6 110.836 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 21.8 p -106.22 -40.81 5.52 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.868 0.321 . . . . 1.03 111.868 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 104.06 17.94 14.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.832 -0.699 . . . . 1.05 111.628 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 37.4 mt -91.53 -169.84 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 1.45 110.936 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2113 ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' A' 2115 ' ' PRO . 26.2 t70 -109.95 134.14 52.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.245 -0.889 . . . . 1.18 109.803 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.99 109.88 4.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 112.995 0.739 . . . . 2.95 112.995 -169.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.49 ' HG2' HD23 ' A' 2118 ' ' LEU . 73.4 Cg_endo -91.85 126.31 0.91 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.016 2.477 . . . . 1.1 111.883 172.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.58 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 40.1 Cg_endo -67.59 -9.4 25.28 Favored 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 122.192 1.928 . . . . 0.75 112.139 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2117 ' ' THR . . . . . 0.419 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 2.7 p -101.35 2.36 39.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.604 . . . . 0.86 111.756 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.3 tm? -49.52 -69.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.7 112.034 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2099 ' ' ALA . 35.3 mm -77.37 -16.35 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.435 0.636 . . . . 0.5 110.244 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2120 ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.7 m-30 -71.35 -37.71 71.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.685 -0.688 . . . . 3.49 110.441 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -95.94 -33.35 12.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.799 -0.637 . . . . 2.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -133.37 62.43 60.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 C-N-CA 120.522 -0.471 . . . . 0.71 111.848 -171.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -82.06 103.44 1.31 Allowed 'Trans proline' 0 N--CA 1.443 -1.45 0 CA-C-N 120.88 1.35 . . . . 0.43 111.201 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 142.22 0.45 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 114.942 -1.026 . . . . 0.5 108.641 172.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' 2084 ' ' SER . 35.3 Cg_exo -59.72 -55.63 1.62 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 121.837 1.691 . . . . 0.25 111.77 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 83.4 t60 -64.35 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.8 111.622 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.3 93.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.34 111.445 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.58 -37.45 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.64 110.962 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 56.5 m -53.66 -43.87 69.17 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.164 0.507 . . . . 0.33 110.412 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -68.58 -50.08 54.45 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.187 -0.915 . . . . 2.22 110.752 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.526 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.3 t60 -57.53 -54.18 49.71 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.449 . . . . 0.59 110.568 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -36.29 80.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.516 -0.766 . . . . 0.48 110.948 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -61.66 -35.13 77.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.27 . . . . 0.67 110.435 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 7.4 m -73.82 -40.35 63.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.476 . . . . 0.74 110.566 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' 2135 ' ' ARG . 2.5 mmp_? -55.09 -50.81 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 3.18 111.822 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.526 HD12 ' HG2' ' A' 2049 ' ' MET . 3.7 mm? -67.22 -39.82 86.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 2.37 112.055 -177.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 37.3 p -71.63 -26.37 62.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.326 0.584 . . . . 1.41 110.087 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -81.78 0.97 36.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.43 -0.805 . . . . 2.57 110.958 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 36.3 m -114.54 39.42 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.307 0.575 . . . . 3.48 109.826 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 39.5 t60 . . . . . 0 C--O 1.246 0.869 0 CA-C-N 115.619 -0.719 . . . . 6.78 110.221 -178.757 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.919 -0.472 . . . . 6.58 111.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' 2049 ' ' MET . 51.0 m -116.29 55.39 0.81 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.838 0.351 . . . . 4.27 110.428 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -74.32 23.6 0.09 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.427 -0.351 . . . . 6.67 111.877 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.482 ' H ' ' C ' ' A' 2047 ' ' SER . 0.0 OUTLIER -40.09 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.128 1.159 . . . . 3.75 114.128 -177.164 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -113.69 -1.34 14.02 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.507 0.558 . . . . 9.54 112.507 -173.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.648 HD11 HD11 ' A' 2063 ' ' LEU . 73.4 mt -120.43 21.8 11.51 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.594 -0.442 . . . . 6.31 111.936 -174.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.32 117.26 10.72 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.638 -0.425 . . . . 4.71 110.042 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 77.06 10.02 86.47 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.965 -0.561 . . . . 3.43 112.871 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.0 144.22 28.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.075 0.464 . . . . 3.31 110.997 -178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.583 ' O ' ' HG3' ' A' 2059 ' ' GLN . 11.1 t -83.26 145.63 49.19 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.445 -0.798 . . . . 2.08 109.2 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.507 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 51.7 Cg_exo -38.4 -49.97 2.34 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 124.071 3.181 . . . . 1.78 114.53 -176.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' 2061 ' ' GLN . 30.6 tt0 -65.94 -44.78 84.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 120.858 0.361 . . . . 2.4 110.893 -178.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.35 -35.02 74.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 2.4 110.546 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.604 ' O ' HD13 ' A' 2063 ' ' LEU . 45.7 mt-30 -65.84 -44.71 84.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 2.83 110.7 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.27 -39.41 75.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.705 -0.225 . . . . 1.38 111.172 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' 2057 ' ' GLN . 42.4 mt-30 -57.42 -48.8 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.532 0.682 . . . . 1.97 109.944 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 93.8 m -54.29 -60.08 3.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.373 -1.285 . . . . 0.83 111.112 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.648 HD11 HD11 ' A' 2051 ' ' LEU . 6.7 mp -59.92 -37.41 79.37 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.783 -0.644 . . . . 0.92 112.303 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.92 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.37 110.941 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.8 m -86.89 -36.44 18.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.916 -0.584 . . . . 0.42 109.459 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.7 tp -58.01 -62.15 2.03 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.433 -0.803 . . . . 0.37 111.19 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -55.45 -38.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.961 -0.563 . . . . 0.64 111.281 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.15 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.391 -0.368 . . . . 0.29 110.56 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.47 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.55 -34.13 75.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.103 0.477 . . . . 0.29 110.427 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.634 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.29 -55.43 28.36 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.519 -0.764 . . . . 0.34 110.442 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.444 ' OG1' HD11 ' A' 2094 ' ' ILE . 6.4 t -69.56 -31.44 69.62 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.282 0.563 . . . . 0.38 110.843 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.513 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.55 -20.83 61.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.916 -0.584 . . . . 0.54 110.753 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 98.3 m -82.59 -40.27 21.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.445 -0.343 . . . . 0.6 111.077 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -66.47 -40.63 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.466 0.65 . . . . 0.78 109.856 -177.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.3 mt -90.92 -36.11 14.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.232 -0.895 . . . . 1.24 111.885 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 59.69 80.48 0.09 OUTLIER Glycine 0 C--N 1.329 0.164 0 C-N-CA 120.772 -0.728 . . . . 1.3 111.416 -175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.32 -3.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.403 0.89 . . . . 2.09 113.403 -169.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' 2083 ' ' ILE . 11.1 t60 -160.39 139.48 10.64 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.708 -0.797 . . . . 5.96 111.997 -170.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 62.6 m -67.53 120.47 73.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.924 -0.58 . . . . 1.52 109.498 171.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.47 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 53.9 Cg_exo -55.0 -29.25 63.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.385 2.723 . . . . 0.7 112.779 -175.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.08 -22.65 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 2.96 110.854 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 39.8 t -110.44 17.76 20.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.788 -0.642 . . . . 1.7 111.301 -172.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' 2072 ' ' ALA . 6.9 mt -87.26 118.39 33.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.033 -0.417 . . . . 0.76 110.393 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.405 ' HB2' ' OG1' ' A' 2087 ' ' THR . 44.7 m -75.77 132.48 74.68 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.42 111.646 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.543 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 58.3 Cg_endo -70.08 -31.23 19.47 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.636 2.891 . . . . 0.36 113.133 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.77 -13.86 60.64 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.167 -0.47 . . . . 0.47 111.601 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' 2084 ' ' SER . 8.2 m -79.28 157.81 27.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.293 0.568 . . . . 0.39 110.692 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -100.13 147.78 25.31 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.307 -0.861 . . . . 0.32 109.535 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 10.3 m-85 -62.3 -27.15 68.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.48 110.057 176.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -54.16 30.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 2.91 109.767 171.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.08 -40.94 74.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.848 -1.069 . . . . 1.88 111.492 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.47 -20.47 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.526 0.565 . . . . 0.73 112.526 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.48 10.94 6.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.19 -1.005 . . . . 0.27 113.841 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -73.96 122.35 26.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.206 0.526 . . . . 0.28 111.636 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2095 ' ' ASP . . . . . 0.456 ' HB2' HD12 ' A' 2097 ' ' LEU . 48.7 m-20 -105.89 -164.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.947 -0.76 . . . . 1.07 108.947 173.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2096 ' ' SER . . . . . 0.45 ' HA ' ' O1 ' ' A' 2201 ' ' 66S . 1.2 p -74.75 -37.62 62.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.21 0.529 . . . . 0.85 111.478 -176.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.655 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.6 -40.83 63.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.437 -0.801 . . . . 1.65 110.689 -176.635 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -80.51 -15.2 57.28 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.904 -0.589 . . . . 0.27 112.154 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.3 -44.39 97.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.028 0.442 . . . . 0.29 110.22 173.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -70.05 -39.4 75.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.4 110.038 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -59.58 -40.97 89.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.143 -0.481 . . . . 0.72 111.526 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.52 HD23 ' HB1' ' A' 2070 ' ' ALA . 1.4 tt -60.37 -54.55 44.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.65 110.497 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.574 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.1 ptt-85 -63.66 -33.14 74.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.542 -0.54 . . . . 2.43 109.542 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.435 HD22 ' HA ' ' A' 2101 ' ' GLU . 93.0 m-20 -55.14 -52.28 63.77 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.072 0.463 . . . . 0.48 110.028 174.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 24.9 m -60.1 -51.84 67.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.582 -0.735 . . . . 0.51 111.623 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 2102 ' ' LEU . 2.7 pp -72.9 -22.37 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.739 -0.384 . . . . 1.13 111.939 -176.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 97.0 m -73.35 -41.79 63.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.896 0.379 . . . . 0.81 110.131 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.275 -0.42 . . . . 2.81 110.534 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -71.11 -50.14 36.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 2.6 110.839 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.547 HG21 HD12 ' A' 2132 ' ' LEU . 17.5 p -70.17 -38.51 75.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.868 -0.605 . . . . 1.03 111.652 -174.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 100.2 -29.15 12.81 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.816 -0.707 . . . . 1.05 112.481 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.69 -173.14 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 1.45 111.116 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 34.0 t70 -105.45 131.3 53.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.176 -0.466 . . . . 1.18 111.469 -173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.44 142.85 41.45 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 2.95 110.66 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -67.66 151.94 78.58 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.374 2.716 . . . . 1.1 113.451 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.574 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 57.0 Cg_endo -70.87 -2.71 11.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.125 2.55 . . . . 0.75 111.94 176.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.1 p -100.43 3.46 43.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.364 -0.834 . . . . 0.86 109.789 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.6 OUTLIER -40.05 -64.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.392 -1.276 . . . . 0.7 112.783 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' 2099 ' ' ALA . 34.9 mm -80.58 -8.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.5 110.589 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -80.22 -40.34 27.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.807 -0.633 . . . . 3.49 109.964 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -86.51 -44.09 12.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 2.0 111.953 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -130.22 63.35 68.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.71 111.983 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -81.43 104.4 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 CA-C-N 120.899 1.357 . . . . 0.43 111.393 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.21 144.88 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.983 -1.008 . . . . 0.5 108.693 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 37.8 Cg_exo -59.21 -58.65 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 121.748 1.632 . . . . 0.25 111.755 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.634 ' O ' ' HB ' ' A' 2129 ' ' THR . 78.4 t60 -63.38 -38.03 89.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.957 -0.565 . . . . 0.8 111.653 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.95 84.77 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.181 -0.208 . . . . 0.34 111.41 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' 2128 ' ' LEU . 21.5 mt -60.82 -37.35 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.836 -0.346 . . . . 0.64 110.399 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.634 ' HB ' ' O ' ' A' 2126 ' ' HIS . 96.3 m -53.17 -42.71 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.33 110.451 174.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 2126 ' ' HIS . 21.0 mt-30 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.393 -0.822 . . . . 2.22 110.017 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.624 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.7 t60 -58.94 -54.8 43.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 0.59 110.72 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.547 HD12 HG21 ' A' 2110 ' ' THR . 3.6 mm? -62.29 -34.6 76.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.623 . . . . 0.48 111.362 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2133 ' ' HIS . . . . . 0.711 ' O ' ' HB ' ' A' 2137 ' ' THR . 17.2 t-80 -64.84 -45.25 86.92 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.67 109.03 177.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.622 ' O ' ' HB3' ' A' 2138 ' ' GLN . 17.5 m -64.77 -17.28 64.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.982 -0.554 . . . . 0.74 111.477 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.6 mmp_? -76.75 -68.5 0.59 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.341 -0.849 . . . . 3.18 111.721 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.617 HD23 HD12 ' A' 2051 ' ' LEU . 1.9 tp -78.44 -36.8 44.96 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.343 -0.389 . . . . 2.37 111.467 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2137 ' ' THR . . . . . 0.711 ' HB ' ' O ' ' A' 2133 ' ' HIS . 58.0 m -74.64 -38.76 62.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.082 0.468 . . . . 1.41 111.131 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.622 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.1 OUTLIER -77.16 -18.08 58.11 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.43 -0.582 . . . . 2.57 109.43 172.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 23.3 t 54.34 83.77 0.07 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.628 -0.714 . . . . 3.48 111.77 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 13.3 p-80 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.161 -0.924 . . . . 6.78 109.831 178.373 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.45 ' O1 ' ' HA ' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.527 -0.629 . . . . 6.58 111.527 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' 2052 ' ' ASN . 19.9 m -96.98 -171.21 2.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.823 0.344 . . . . 4.27 110.759 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -75.87 -45.16 37.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.317 -0.401 . . . . 6.67 111.285 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.553 ' HG2' HD13 ' A' 2136 ' ' LEU . 26.4 mmt -106.25 -84.43 0.51 Allowed 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 118.839 -1.144 . . . . 3.75 112.462 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' 2049 ' ' MET . 3.9 mpt_? -121.83 -60.59 1.58 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 121.619 0.723 . . . . 9.54 112.391 174.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' 2051 ' ' LEU . 3.3 mm? -128.29 26.16 5.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.744 -1.116 . . . . 6.31 112.028 -174.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.444 ' HB3' ' HB3' ' A' 2047 ' ' SER . 66.1 t30 -38.22 151.14 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.628 0.973 . . . . 4.71 113.628 -168.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.48 22.19 6.2 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 109.776 -1.33 . . . . 3.43 109.776 -165.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.404 ' HB2' ' HG2' ' A' 2059 ' ' GLN . 76.6 mt -97.56 169.06 9.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.25 -0.975 . . . . 3.31 111.015 -178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 22.7 m -77.04 156.21 82.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.012 -0.736 . . . . 2.08 109.012 171.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -38.34 -56.52 1.03 Allowed 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 123.878 3.052 . . . . 1.78 114.413 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.45 -36.46 76.65 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.716 0.294 . . . . 2.4 111.651 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -62.01 -33.03 73.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.533 0.683 . . . . 2.4 110.293 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.68 ' O ' HD13 ' A' 2063 ' ' LEU . 59.5 mt-30 -72.87 -53.21 11.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.54 -0.755 . . . . 2.83 110.137 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.61 -41.38 73.38 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 113.059 0.763 . . . . 1.38 113.059 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.8 -38.45 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.533 . . . . 1.97 110.452 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' 2059 ' ' GLN . 73.3 m -60.87 -58.4 8.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.555 -0.748 . . . . 0.83 110.762 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' 2059 ' ' GLN . 6.2 mp -57.73 -40.21 79.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.815 . . . . 0.92 111.988 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.47 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.906 0.384 . . . . 0.37 110.793 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 28.2 m -83.73 -37.09 23.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 0.42 109.618 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.3 tp -58.34 -62.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.39 -0.823 . . . . 0.37 110.97 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' 2063 ' ' LEU . 7.0 p -55.2 -39.4 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.64 111.326 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' 2071 ' ' THR . . . -60.04 -57.79 11.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.29 110.471 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.01 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.29 111.076 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.612 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.92 -54.1 43.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.914 -0.585 . . . . 0.34 110.773 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.401 HG22 ' O ' ' A' 2068 ' ' ALA . 5.8 t -70.81 -24.49 62.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 0.38 110.117 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -71.79 -19.88 61.94 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.703 -1.135 . . . . 0.54 110.696 174.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 43.8 m -91.0 -37.41 13.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.6 111.312 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -71.57 -46.69 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.177 0.513 . . . . 0.78 109.833 -178.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.551 ' HB2' ' CD2' ' A' 2077 ' ' HIS . 56.4 mt -91.65 171.02 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.664 -0.698 . . . . 1.24 111.064 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -96.36 65.36 1.08 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.193 -0.527 . . . . 1.3 112.718 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' 2075 ' ' LEU . 17.4 p80 -155.0 55.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.021 -0.733 . . . . 2.09 109.021 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.828 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 39.5 t-80 -77.48 68.24 3.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.015 0.912 . . . . 5.96 112.723 -168.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' 2081 ' ' GLU . 19.1 m -138.72 94.45 10.33 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 114.586 -1.188 . . . . 1.52 107.888 164.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.02 -19.69 69.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.788 2.325 . . . . 0.7 111.786 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2081 ' ' GLU . . . . . 0.45 ' HB3' HG22 ' A' 2079 ' ' THR . 39.1 tt0 -61.05 -34.93 75.65 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.138 -0.937 . . . . 2.96 111.18 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -89.34 1.92 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.987 -0.551 . . . . 1.7 110.872 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' 2072 ' ' ALA . 31.0 mt -88.76 114.36 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.152 -0.477 . . . . 0.76 110.338 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.52 ' HB2' ' OG1' ' A' 2087 ' ' THR . 14.6 m -83.69 131.83 50.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.42 110.185 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.531 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 38.1 Cg_endo -63.6 -30.5 70.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.516 2.811 . . . . 0.36 113.446 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -91.36 0.73 57.47 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.658 0.614 . . . . 0.47 112.658 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' 2084 ' ' SER . 3.0 m -87.14 145.7 26.32 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.349 -0.54 . . . . 0.39 110.259 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -84.31 137.37 33.48 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.518 -0.764 . . . . 0.32 109.681 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.401 ' O ' ' HB ' ' A' 2094 ' ' ILE . 12.3 m-85 -53.37 -29.25 33.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.888 -0.596 . . . . 0.48 111.853 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -48.29 69.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.165 0.507 . . . . 2.91 109.891 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.61 -35.57 77.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.88 111.539 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.68 -22.1 64.4 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 121.116 -0.234 . . . . 0.73 111.484 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.41 9.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.114 -1.041 . . . . 0.27 112.572 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' 2089 ' ' PHE . 28.3 mm -64.22 124.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.873 0.368 . . . . 0.28 111.208 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -99.28 -165.51 1.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.046 -0.724 . . . . 1.07 109.046 173.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -19.77 54.48 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.662 -0.866 . . . . 0.85 108.662 171.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.734 ' O ' ' HG ' ' A' 2100 ' ' LEU . 27.5 mt -73.35 -60.15 2.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.269 -1.332 . . . . 1.65 110.727 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -8.02 54.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.831 -0.622 . . . . 0.27 111.88 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -67.26 -43.76 81.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.29 110.36 174.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -69.87 -37.22 76.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.748 -0.381 . . . . 0.4 110.087 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.56 ' N ' HD12 ' A' 2100 ' ' LEU . 7.6 mm-40 -59.6 -40.51 87.72 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.72 111.288 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.5 OUTLIER -61.4 -47.52 85.43 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.262 -0.426 . . . . 0.65 110.001 176.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' 2099 ' ' ALA . 25.5 mtm-85 -59.09 -46.05 89.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.738 -0.467 . . . . 2.43 109.738 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.409 HD22 ' HA ' ' A' 2101 ' ' GLU . 96.1 m-20 -50.39 -47.31 56.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.77 -0.65 . . . . 0.48 110.659 176.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 9.9 m -68.31 -46.25 70.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.612 -0.722 . . . . 0.51 110.743 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.2 mt -63.48 -45.51 90.43 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.154 -0.475 . . . . 1.13 111.34 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 26.3 m -56.52 -44.2 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.219 0.533 . . . . 0.81 110.87 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 82.7 t60 -68.22 -22.62 64.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.668 -0.696 . . . . 2.81 111.231 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -102.29 -13.05 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.374 0.509 . . . . 2.6 112.374 -174.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.429 HG22 ' SD ' ' A' 2049 ' ' MET . 49.9 p -103.38 -16.37 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.289 0.566 . . . . 1.03 111.072 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 90.32 -33.32 4.58 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.73 -0.668 . . . . 1.05 113.554 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' 2112 ' ' LEU . 0.3 OUTLIER -104.8 -178.65 3.72 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.237 0.541 . . . . 1.45 111.909 -178.249 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.25 156.59 31.34 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.944 -1.025 . . . . 1.18 110.949 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.5 tp -140.54 133.52 14.74 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.197 -0.456 . . . . 2.95 109.982 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.563 ' O ' ' HB2' ' A' 2118 ' ' LEU . 51.8 Cg_endo -70.23 149.8 64.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.019 2.479 . . . . 1.1 113.093 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.5 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 56.5 Cg_endo -70.92 -8.25 23.21 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.996 2.464 . . . . 0.75 112.431 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 9.9 p -100.24 4.72 44.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.111 -0.495 . . . . 0.86 110.384 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.32 -65.05 0.51 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.026 -0.988 . . . . 0.7 112.463 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.433 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 35.8 mm -77.39 -28.14 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.206 0.527 . . . . 0.5 110.311 -177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.27 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.724 -0.671 . . . . 3.49 110.582 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 7.3 t0 -82.67 -49.3 9.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.118 -0.946 . . . . 2.0 111.803 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.4 m80 -125.02 65.93 49.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.6 -0.44 . . . . 0.71 111.975 -170.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.38 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 CA-C-N 120.664 1.273 . . . . 0.43 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.71 143.97 0.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.35 -0.981 . . . . 0.5 108.35 172.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.531 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.2 Cg_exo -58.08 -59.13 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 121.715 1.61 . . . . 0.25 111.477 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.58 ' O ' ' HB ' ' A' 2129 ' ' THR . 70.4 t60 -66.13 -32.48 73.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.8 112.226 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.82 72.12 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.794 -0.363 . . . . 0.34 110.938 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' 2128 ' ' LEU . 29.2 mt -61.27 -36.22 79.44 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.911 -0.316 . . . . 0.64 110.246 171.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' 2126 ' ' HIS . 52.9 m -52.96 -37.19 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.33 110.68 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' 2126 ' ' HIS . 37.0 mt-30 -71.54 -45.4 62.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.525 -0.761 . . . . 2.22 110.124 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 63.5 t60 -66.07 -45.17 82.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.59 110.614 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' 2135 ' ' ARG . 3.2 mm? -73.18 -20.5 60.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.358 -0.383 . . . . 0.48 111.023 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -71.6 -29.88 65.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.415 -0.587 . . . . 0.67 109.415 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 2138 ' ' GLN . 25.9 m -69.56 -43.06 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.74 109.594 173.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' 2138 ' ' GLN . 26.4 mmm180 -60.83 -40.04 91.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 3.18 109.966 176.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.553 HD13 ' HG2' ' A' 2049 ' ' MET . 12.7 tp -68.03 -43.16 79.36 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.434 -0.803 . . . . 2.37 111.966 178.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 11.0 p -71.98 -10.46 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 1.41 111.036 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' 2135 ' ' ARG . 71.1 mm-40 -68.96 -18.52 64.09 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.808 -0.633 . . . . 2.57 110.155 170.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 10.2 t 61.69 -157.95 0.33 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.056 -0.975 . . . . 3.48 111.242 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.957 -0.544 . . . . 6.78 109.722 177.465 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.795 -0.522 . . . . 6.58 111.795 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 19.1 m -137.96 33.86 2.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 4.27 111.089 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.748 ' HA ' HD21 ' A' 2051 ' ' LEU . 3.6 m-70 -93.51 20.8 6.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.692 0.758 . . . . 6.67 110.443 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 18.9 ptt? -56.89 -36.56 70.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.329 -1.305 . . . . 3.75 113.645 -176.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -110.25 2.01 18.98 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 113.325 0.861 . . . . 9.54 113.325 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' 2048 ' ' HIS . 0.1 OUTLIER -102.32 22.53 13.2 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.259 -0.576 . . . . 6.31 111.473 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.78 117.69 8.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.685 -0.487 . . . . 4.71 109.685 175.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 76.62 -30.27 1.48 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.136 -0.554 . . . . 3.43 113.317 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' 2058 ' ' GLN . 80.9 mt -78.97 140.97 37.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.392 0.615 . . . . 3.31 111.91 -176.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' 2056 ' ' PRO . 35.8 p -92.66 169.04 11.29 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.228 -1.027 . . . . 2.08 108.228 169.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' 2055 ' ' SER . 49.8 Cg_exo -40.85 -45.34 4.9 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.99 2.46 . . . . 1.78 114.244 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -75.78 -39.91 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.596 0.236 . . . . 2.4 111.401 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.64 ' HB3' HD22 ' A' 2054 ' ' LEU . 15.0 mm-40 -59.36 -34.35 72.28 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.37 0.605 . . . . 2.4 110.226 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.557 ' NE2' ' HB3' ' A' 2051 ' ' LEU . 50.5 mt-30 -63.98 -57.36 9.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.461 -0.79 . . . . 2.83 110.674 175.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -49.77 -43.11 48.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.047 0.758 . . . . 1.38 113.047 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.01 -36.95 75.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.994 -0.682 . . . . 1.97 110.931 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 55.2 m -58.61 -57.9 10.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.83 110.665 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.609 ' O ' HG12 ' A' 2067 ' ' VAL . 7.7 mp -57.55 -40.05 78.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.626 -0.715 . . . . 0.92 111.37 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.45 69.94 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.389 0.431 . . . . 0.37 110.753 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 67.7 m -79.16 -34.85 42.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.286 0.565 . . . . 0.42 109.546 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 14.1 tp -62.83 -64.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.37 110.807 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' 2063 ' ' LEU . 7.6 p -54.86 -39.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.64 111.355 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.58 -56.47 21.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.507 -0.315 . . . . 0.29 110.511 174.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.435 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -60.15 -34.43 73.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.899 0.38 . . . . 0.29 110.186 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.19 -56.18 23.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.479 -0.782 . . . . 0.34 110.782 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.477 ' OG1' HD11 ' A' 2094 ' ' ILE . 9.9 t -68.31 -29.66 68.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.205 0.526 . . . . 0.38 110.955 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.967 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -73.31 -19.11 61.11 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.638 -0.71 . . . . 0.54 110.779 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 39.5 m -84.99 -31.85 23.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.285 -0.416 . . . . 0.6 110.643 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -73.08 -37.71 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.437 0.637 . . . . 0.78 109.547 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.437 HD21 HD13 ' A' 2094 ' ' ILE . 74.6 mt -87.96 -175.1 4.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.314 -0.857 . . . . 1.24 111.257 178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -79.59 -57.93 3.0 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.716 -0.754 . . . . 1.3 111.748 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 32.1 p80 -60.73 140.55 57.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.923 -0.399 . . . . 2.09 109.923 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.967 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 43.1 t-80 -140.78 69.35 1.34 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.724 0.773 . . . . 5.96 111.469 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.426 ' O ' HG13 ' A' 2083 ' ' ILE . 28.1 m -122.73 97.43 44.26 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.027 -0.988 . . . . 1.52 108.369 166.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 17.1 Cg_exo -67.01 -16.57 49.81 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.37 2.047 . . . . 0.7 111.156 -175.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2081 ' ' GLU . . . . . 0.411 ' HB3' HG22 ' A' 2079 ' ' THR . 32.7 tt0 -68.2 -44.19 76.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.652 -1.158 . . . . 2.96 111.325 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 59.5 p -77.53 -18.27 57.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.7 110.932 -173.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.8 mt -67.93 97.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.046 -0.979 . . . . 0.76 110.495 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.511 ' HB2' ' OG1' ' A' 2087 ' ' THR . 15.6 m -79.17 131.67 65.44 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.645 -0.707 . . . . 0.42 111.03 -175.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.553 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 30.7 Cg_endo -62.22 -32.06 82.46 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.651 2.9 . . . . 0.36 113.16 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.93 -15.42 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.47 111.561 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.529 ' O ' HG22 ' A' 2124 ' ' THR . 2.6 m -84.92 148.95 25.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.186 0.517 . . . . 0.39 110.513 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.404 ' HA ' HG22 ' A' 2124 ' ' THR . . . -86.78 143.57 27.46 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.238 -0.892 . . . . 0.32 110.005 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.419 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 14.2 m-85 -52.79 -32.22 42.72 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.44 0.462 . . . . 0.48 110.824 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -49.67 -61.11 2.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.634 0.731 . . . . 2.91 110.503 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.492 ' HB2' HG22 ' A' 2087 ' ' THR . 12.6 m-20 -59.86 -34.69 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.307 -1.315 . . . . 1.88 111.868 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.8 OUTLIER -67.48 -22.17 65.48 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.048 -0.261 . . . . 0.73 111.652 179.558 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.71 -7.19 7.86 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.642 -0.79 . . . . 0.27 112.558 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.477 HD11 ' OG1' ' A' 2071 ' ' THR . 27.9 mm -63.09 126.61 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.28 112.036 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -103.91 -166.84 1.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.427 -0.953 . . . . 1.07 108.427 171.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -72.86 -31.57 64.83 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.69 0.757 . . . . 0.85 109.468 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' 2100 ' ' LEU . 21.9 mt -63.08 -59.87 4.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.593 -1.185 . . . . 1.65 110.785 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.429 ' HB ' HG23 ' A' 2074 ' ' VAL . 1.2 p -74.0 -9.86 59.06 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.247 -0.888 . . . . 0.27 112.626 -176.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.54 -41.86 97.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.428 . . . . 0.29 110.443 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -75.43 -34.25 60.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.238 -0.437 . . . . 0.4 110.771 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -61.36 -37.43 83.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.72 111.087 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' 2071 ' ' THR . 0.6 OUTLIER -63.9 -50.1 70.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.548 -0.538 . . . . 0.65 109.548 175.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.732 ' HG2' HD12 ' A' 2118 ' ' LEU . 42.2 mtm105 -54.05 -45.27 71.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.214 -0.903 . . . . 2.43 109.46 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -53.15 -49.69 66.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.519 -0.764 . . . . 0.48 111.111 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 34.9 m -63.56 -55.71 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 0.51 112.418 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' 2102 ' ' LEU . 1.9 pp -68.27 -20.3 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.808 -0.357 . . . . 1.13 111.913 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.551 ' OG1' ' HG ' ' A' 2114 ' ' LEU . 91.6 m -73.56 -33.03 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.059 0.457 . . . . 0.81 110.49 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.19 -18.74 61.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.312 0.577 . . . . 2.81 109.937 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -93.16 -21.19 19.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 2.6 111.491 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 9.7 p -103.34 -41.63 5.97 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.91 -0.316 . . . . 1.03 111.775 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.7 73.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 1.05 112.489 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.88 -171.07 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.802 0.334 . . . . 1.45 110.821 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -112.21 116.68 30.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.96 -0.564 . . . . 1.18 110.654 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' 2103 ' ' ARG . 0.0 OUTLIER -99.21 161.63 24.08 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.428 -0.806 . . . . 2.95 111.641 -170.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -91.85 147.56 3.22 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.795 2.997 . . . . 1.1 113.19 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.521 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 40.9 Cg_endo -68.91 -2.43 9.54 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.64 2.227 . . . . 0.75 111.892 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 6.4 p -95.38 -0.81 52.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.87 -0.605 . . . . 0.86 112.209 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.732 HD12 ' HG2' ' A' 2103 ' ' ARG . 4.9 mt -40.3 -70.41 0.1 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.954 0.724 . . . . 0.7 112.954 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 10.6 mm -83.22 -1.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.786 0.803 . . . . 0.5 110.208 -172.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.39 -49.17 7.11 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.41 -0.814 . . . . 3.49 110.064 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -98.14 -37.53 9.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 2.0 111.565 -173.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -120.29 44.2 0.66 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 118.828 -0.606 . . . . 0.71 112.544 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' 2124 ' ' THR . 63.8 Cg_endo -82.32 106.53 1.56 Allowed 'Trans proline' 0 N--CA 1.446 -1.31 0 CA-C-N 121.258 1.485 . . . . 0.43 113.09 -175.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.676 HG23 ' O ' ' A' 2123 ' ' PRO . 5.9 p -176.45 160.77 1.75 Allowed Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 105.026 -2.213 . . . . 0.5 105.026 163.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' 2067 ' ' VAL . 31.9 Cg_exo -56.74 -36.41 98.45 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 CA-C-N 120.583 1.244 . . . . 0.25 110.63 172.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 82.8 t60 -77.59 -50.58 12.24 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.709 -0.678 . . . . 0.8 112.339 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.748 0.308 . . . . 0.34 111.186 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.526 HD11 HD13 ' A' 2118 ' ' LEU . 6.0 tp -67.46 -39.25 85.33 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.811 0.339 . . . . 0.64 110.159 176.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' 2063 ' ' LEU . 32.9 m -54.64 -45.45 73.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.738 -0.664 . . . . 0.33 110.984 174.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' 2126 ' ' HIS . 7.2 mm100 -56.29 -45.76 80.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.774 -0.648 . . . . 2.22 111.203 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.42 -49.62 73.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.217 -0.447 . . . . 0.59 110.771 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.7 mm? -70.03 -24.44 63.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.016 -0.538 . . . . 0.48 111.397 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -70.72 -36.33 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.67 109.476 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -29.94 68.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.68 -0.691 . . . . 0.74 109.932 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' 2139 ' ' SER . 7.9 mmm180 -62.44 -27.85 69.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 3.18 110.591 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.549 ' HB3' HD22 ' A' 2051 ' ' LEU . 87.9 mt -93.06 -41.16 10.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.714 -0.676 . . . . 2.37 111.833 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 35.8 p -89.19 -38.83 13.98 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.221 0.534 . . . . 1.41 110.706 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.38 -23.96 19.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.421 -0.809 . . . . 2.57 110.74 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2139 ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' 2135 ' ' ARG . 12.5 t 65.12 -160.92 0.28 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.569 -0.741 . . . . 3.48 110.6 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.488 -0.768 . . . . 6.78 109.822 177.873 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.968 0 N-CA-C 112.425 -0.27 . . . . 6.58 112.425 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.426 ' HB3' HD22 ' A' 2136 ' ' LEU . 7.4 m -130.35 30.1 4.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.075 0.464 . . . . 4.27 111.169 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.403 ' O ' ' HD2' ' A' 2050 ' ' ARG . 39.7 m170 -87.0 23.14 1.83 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.001 0.905 . . . . 6.67 110.114 176.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 21.2 ptt? -76.3 22.67 0.16 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.489 -1.232 . . . . 3.75 112.204 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.451 ' HB3' ' HA ' ' A' 2137 ' ' THR . 0.0 OUTLIER -49.59 -53.41 24.01 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.968 0.729 . . . . 9.54 112.968 -168.204 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -122.49 12.45 10.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.991 -0.284 . . . . 6.31 111.443 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.5 115.44 16.25 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.633 -0.427 . . . . 4.71 111.26 -173.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 64.82 -11.74 0.25 Allowed Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.901 -0.591 . . . . 3.43 114.523 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' 2059 ' ' GLN . 0.0 OUTLIER -100.99 131.86 46.67 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.225 0.535 . . . . 3.31 111.98 -172.502 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.572 ' O ' HD12 ' A' 2054 ' ' LEU . 22.2 t -99.63 143.05 25.72 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 107.263 -1.384 . . . . 2.08 107.263 167.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.456 ' O ' ' HG3' ' A' 2060 ' ' GLN . 56.5 Cg_exo -35.74 -49.34 1.03 Allowed 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 124.062 3.175 . . . . 1.78 115.571 -167.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.63 -27.39 67.65 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.356 0.502 . . . . 2.4 112.356 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.44 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 14.5 mm-40 -59.61 -50.69 72.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.884 0.373 . . . . 2.4 111.739 -176.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.684 ' HG3' HD22 ' A' 2054 ' ' LEU . 8.2 mm100 -73.78 -34.17 64.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.207 -0.597 . . . . 2.83 110.983 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' 2056 ' ' PRO . 74.6 mt-30 -58.91 -42.28 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.657 -0.417 . . . . 1.38 111.866 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.4 -39.55 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.121 -0.632 . . . . 1.97 110.275 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 90.4 m -56.46 -60.27 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.674 . . . . 0.83 110.813 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.67 HD13 ' O ' ' A' 2059 ' ' GLN . 5.2 mp -59.37 -37.55 78.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.818 -0.628 . . . . 0.92 112.216 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.8 -32.43 74.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.117 0.484 . . . . 0.37 110.739 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 29.4 m -82.75 -34.64 27.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.272 -0.64 . . . . 0.42 109.272 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 12.7 tp -57.67 -60.83 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.36 -0.836 . . . . 0.37 110.801 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.503 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.2 p -55.48 -42.22 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.951 -0.568 . . . . 0.64 111.399 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.9 61.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.322 -0.399 . . . . 0.29 110.737 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.493 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.99 -29.37 70.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.766 0.317 . . . . 0.29 110.532 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.691 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.3 -62.52 1.63 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.581 -0.525 . . . . 0.34 109.581 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.522 ' HB ' HD11 ' A' 2102 ' ' LEU . 12.1 t -64.36 -34.27 77.77 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.295 0.569 . . . . 0.38 110.946 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -66.85 -27.6 67.67 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.627 -0.715 . . . . 0.54 110.957 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 52.9 m -90.81 -34.19 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.059 0.392 . . . . 0.6 112.059 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.35 -35.44 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.882 -0.784 . . . . 0.78 108.882 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.496 HD23 HG21 ' A' 2098 ' ' THR . 60.9 mt -90.4 -39.63 12.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.353 -1.294 . . . . 1.24 111.102 173.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 63.91 79.09 0.17 Allowed Glycine 0 C--N 1.328 0.115 0 N-CA-C 110.929 -0.868 . . . . 1.3 110.929 -175.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.51 -4.9 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.766 1.025 . . . . 2.09 113.766 -167.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.416 ' CD2' HG12 ' A' 2083 ' ' ILE . 27.1 t60 -156.25 145.41 20.55 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 119.855 -0.738 . . . . 5.96 111.991 -166.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 91.5 m -73.46 117.28 59.25 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.756 -0.656 . . . . 1.52 109.706 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.493 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 61.6 Cg_exo -53.92 -34.23 75.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.412 2.741 . . . . 0.7 112.762 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.52 -25.65 67.42 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.147 -0.479 . . . . 2.96 111.109 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 17.2 t -102.07 19.24 18.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.138 -0.483 . . . . 1.7 111.023 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.8 mt -89.56 117.74 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.116 0.484 . . . . 0.76 110.569 175.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.8 m -75.74 131.33 76.9 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.42 111.26 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.487 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.2 Cg_endo -66.16 -30.58 46.38 Favored 'Trans proline' 0 N--CA 1.471 0.183 0 C-N-CA 123.79 2.993 . . . . 0.36 113.918 -172.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.46 -3.42 57.67 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.766 0.654 . . . . 0.47 112.766 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.4 m -84.37 150.49 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.632 0.73 . . . . 0.39 111.048 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.29 136.03 33.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.968 -1.015 . . . . 0.32 109.457 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 29.8 m-85 -52.47 -29.7 26.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.48 111.979 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.601 ' HB2' ' C43' ' A' 2201 ' ' 66S . 9.9 ttpt -51.08 -57.8 7.74 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.465 0.478 . . . . 2.91 110.849 172.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.413 ' N ' ' HG2' ' A' 2090 ' ' LYS . 16.6 t70 -54.26 -39.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 1.88 112.095 177.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.0 OUTLIER -69.01 -21.16 64.15 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.712 0.264 . . . . 0.73 111.712 -178.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.12 6.41 5.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.716 -0.754 . . . . 0.27 112.657 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.502 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 46.1 mm -84.09 138.86 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.959 0.409 . . . . 0.28 111.828 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2095 ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' A' 2096 ' ' SER . 26.8 t0 -139.32 -163.51 1.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.462 -0.94 . . . . 1.07 108.462 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2096 ' ' SER . . . . . 0.47 ' H ' ' CG ' ' A' 2095 ' ' ASP . 0.2 OUTLIER -55.24 -36.86 66.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.35 0.595 . . . . 0.85 111.763 -175.234 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.707 ' O ' ' HG ' ' A' 2100 ' ' LEU . 15.9 tp -63.87 -60.27 3.49 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.819 -1.082 . . . . 1.65 111.78 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.496 HG21 HD23 ' A' 2075 ' ' LEU . 8.3 p -82.17 -12.26 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.94 -0.573 . . . . 0.27 112.372 -174.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' 2119 ' ' ILE . . . -60.78 -37.54 82.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.922 0.392 . . . . 0.29 110.054 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -76.2 -38.62 56.26 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.429 -0.508 . . . . 0.4 110.057 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.418 ' N ' HD12 ' A' 2100 ' ' LEU . 5.7 mm-40 -63.75 -43.78 95.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.9 0.381 . . . . 0.72 111.168 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.522 HD11 ' HB ' ' A' 2071 ' ' THR . 1.3 tt -56.65 -55.78 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.054 -0.521 . . . . 0.65 110.135 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -53.33 -43.96 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.877 -0.601 . . . . 2.43 110.943 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.4 m-20 -51.14 -51.22 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.48 110.656 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.1 m -62.1 -44.62 96.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.51 110.6 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' 2102 ' ' LEU . 82.2 mt -60.46 -40.75 92.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 1.13 110.684 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.8 m -65.3 -45.77 83.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.355 -0.839 . . . . 0.81 110.969 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 39.7 m170 -72.97 -24.0 60.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.858 -0.61 . . . . 2.81 111.712 -174.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.43 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.2 t30 -69.13 -46.3 67.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 2.6 111.289 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 1.4 p -88.29 -39.78 14.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.101 0.408 . . . . 1.03 112.101 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 113.0 -13.58 24.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.44 -0.886 . . . . 1.05 112.447 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' 2112 ' ' LEU . 1.2 pp -78.02 -170.07 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.614 0.245 . . . . 1.45 110.565 177.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -122.65 133.42 54.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 1.18 110.054 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.31 140.93 24.21 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.876 0.369 . . . . 2.95 111.304 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.562 ' O ' ' HB2' ' A' 2118 ' ' LEU . 37.2 Cg_endo -67.88 147.96 75.66 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.176 2.584 . . . . 1.1 112.135 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.51 -8.82 11.66 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.204 2.603 . . . . 0.75 112.456 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2117 ' ' THR . . . . . 0.518 ' HB ' ' OD2' ' A' 2121 ' ' ASP . 2.8 p -96.63 3.89 52.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.629 . . . . 0.86 110.549 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -44.07 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.7 112.083 176.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' 2099 ' ' ALA . 41.7 mm -76.31 -19.36 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.681 0.753 . . . . 0.5 109.777 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2120 ' ' PHE . . . . . 0.428 ' HB3' ' HA ' ' A' 2117 ' ' THR . 26.9 t80 -63.11 -48.37 78.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.858 -1.065 . . . . 3.49 110.154 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2121 ' ' ASP . . . . . 0.518 ' OD2' ' HB ' ' A' 2117 ' ' THR . 6.0 m-20 -87.45 -42.68 12.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 2.0 112.531 -175.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -124.98 62.79 37.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 120.113 -0.635 . . . . 0.71 112.146 -170.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -81.82 104.76 1.46 Allowed 'Trans proline' 0 N--CA 1.442 -1.503 0 CA-C-N 120.512 1.218 . . . . 0.43 111.119 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.63 142.58 0.48 Allowed Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 124.487 1.115 . . . . 0.5 108.348 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' 2085 ' ' PRO . 40.1 Cg_exo -57.69 -54.65 3.1 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.737 1.625 . . . . 0.25 111.902 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.509 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.4 t60 -66.91 -38.31 85.99 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.159 -0.473 . . . . 0.8 111.581 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.6 91.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.37 -0.377 . . . . 0.34 111.261 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.64 110.704 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' 2126 ' ' HIS . 97.3 m -55.37 -51.13 67.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.186 0.517 . . . . 0.33 110.392 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.27 -39.7 94.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.32 -0.855 . . . . 2.22 110.532 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' 2135 ' ' ARG . 48.6 t-80 -60.32 -59.97 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.59 110.383 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.51 -31.48 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.48 111.292 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.84 -52.6 49.08 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.692 -0.484 . . . . 0.67 109.692 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' 2138 ' ' GLN . 30.1 m -56.67 -40.75 76.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.74 111.295 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.692 ' HG2' ' O ' ' A' 2131 ' ' HIS . 1.8 mmp_? -47.14 -57.77 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.404 0.52 . . . . 3.18 112.404 -177.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' 2047 ' ' SER . 97.3 mt -89.85 -32.25 16.98 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.64 0.607 . . . . 2.37 112.64 -174.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2137 ' ' THR . . . . . 0.451 ' HA ' ' HB3' ' A' 2050 ' ' ARG . 69.8 p -76.99 -32.32 57.14 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.271 -0.571 . . . . 1.41 110.686 -173.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.442 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.0 OUTLIER -86.25 -13.59 46.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.489 -0.778 . . . . 2.57 110.044 177.214 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2139 ' ' SER . . . . . 0.567 ' HB2' ' O ' ' A' 2135 ' ' ARG . 31.3 t -73.01 163.35 28.3 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.84 -0.618 . . . . 3.48 110.594 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.793 -0.622 . . . . 6.78 109.801 178.891 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.601 ' C43' ' HB2' ' A' 2090 ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.664 ' N ' ' HG ' ' A' 2139 ' ' SER . . . . . . . . 0 N--CA 1.483 1.811 0 N-CA-C 112.083 -0.407 . . . . 6.58 112.083 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' 2049 ' ' MET . 35.0 t -113.8 156.11 24.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 4.27 110.762 -176.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.65 ' HA ' ' O ' ' A' 2051 ' ' LEU . 6.1 p-80 -70.98 23.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.338 -0.847 . . . . 6.67 111.608 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.487 ' H ' ' C ' ' A' 2047 ' ' SER . 13.3 mmt -50.03 -56.79 9.34 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 113.41 0.893 . . . . 3.75 113.41 -171.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' 2050 ' ' ARG . 41.5 mmt-85 -89.27 -69.44 0.71 Allowed 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 116.977 -1.889 . . . . 9.54 108.593 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.65 ' O ' ' HA ' ' A' 2048 ' ' HIS . 92.2 mt -138.74 -64.61 0.51 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 122.208 1.004 . . . . 6.31 109.439 144.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -104.3 151.66 23.16 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 113.736 -1.574 . . . . 4.71 112.074 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 39.85 62.92 1.34 Allowed Glycine 0 N--CA 1.466 0.656 0 N-CA-C 115.521 0.968 . . . . 3.43 115.521 158.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' 2054 ' ' LEU . 0.0 OUTLIER -52.42 147.03 8.64 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 121.462 0.648 . . . . 3.31 110.698 178.193 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.455 ' HB2' ' HG2' ' A' 2058 ' ' GLN . 11.8 m -92.53 139.39 23.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.177 -0.675 . . . . 2.08 109.177 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -38.18 -50.76 2.13 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.889 3.059 . . . . 1.78 115.116 -171.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.662 ' O ' ' HG3' ' A' 2061 ' ' GLN . 49.4 mt-30 -72.43 -25.26 61.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.076 0.399 . . . . 2.4 112.076 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.455 ' HG2' ' HB2' ' A' 2055 ' ' SER . 31.3 mm-40 -53.9 -56.02 21.54 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.245 0.545 . . . . 2.4 111.58 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.498 ' HG3' ' HG ' ' A' 2054 ' ' LEU . 8.0 mm-40 -68.53 -36.14 78.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.801 -0.636 . . . . 2.83 111.441 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.72 -18.41 42.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.865 0.32 . . . . 1.38 111.865 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.662 ' HG3' ' O ' ' A' 2057 ' ' GLN . 33.3 mt-30 -81.57 -60.37 2.28 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.167 -0.679 . . . . 1.97 109.167 172.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 96.9 m -47.43 -57.67 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.189 -1.368 . . . . 0.83 111.518 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' 2067 ' ' VAL . 2.7 mp -59.82 -46.86 87.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.92 111.786 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -59.25 -32.69 70.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.851 0.358 . . . . 0.37 111.312 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 6.4 m -82.69 -37.49 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.349 -0.612 . . . . 0.42 109.349 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.67 -63.76 1.19 Allowed 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.062 -0.972 . . . . 0.37 111.042 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -50.89 -41.34 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.64 111.311 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.07 6.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.785 -0.643 . . . . 0.29 111.086 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.711 0.291 . . . . 0.29 111.329 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' 2074 ' ' VAL . . . -66.54 -52.78 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.34 110.44 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.453 ' OG1' HD11 ' A' 2094 ' ' ILE . 14.5 t -71.39 -28.3 63.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.912 0.863 . . . . 0.38 109.924 -175.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -68.25 -16.97 64.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.545 -1.207 . . . . 0.54 110.67 174.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 40.9 m -90.77 -35.24 14.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.408 -0.36 . . . . 0.6 111.185 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -75.42 -37.06 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.51 0.671 . . . . 0.78 110.194 -177.368 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.491 HD21 HD13 ' A' 2094 ' ' ILE . 62.8 mt -86.86 175.57 8.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.205 -0.907 . . . . 1.24 111.48 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -89.72 16.96 55.33 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.755 -0.657 . . . . 1.3 112.8 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 32.2 p80 -131.89 130.51 41.72 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.489 -0.93 . . . . 2.09 108.489 176.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.806 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 47.7 t-80 -127.64 60.35 1.43 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.043 0.925 . . . . 5.96 111.905 -177.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 3.2 m -123.67 101.48 36.6 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 108.117 -1.068 . . . . 1.52 108.117 165.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.8 -15.06 36.75 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 122.507 2.138 . . . . 0.7 110.643 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.2 -33.88 77.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.151 -1.386 . . . . 2.96 110.658 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 30.3 t -85.36 -5.2 59.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.044 -0.98 . . . . 1.7 110.707 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.434 HD13 ' CG2' ' A' 2071 ' ' THR . 29.2 mt -86.67 94.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.185 0.517 . . . . 0.76 110.06 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.432 ' HB2' ' OG1' ' A' 2087 ' ' THR . 17.3 m -79.09 135.83 58.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.557 -0.747 . . . . 0.42 110.853 -176.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.46 -29.7 44.71 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.629 2.886 . . . . 0.36 113.522 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.46 -19.08 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.424 -0.353 . . . . 0.47 111.454 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.9 m -80.5 156.39 26.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.296 0.57 . . . . 0.39 110.603 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.48 ' O ' HD22 ' A' 2092 ' ' LEU . . . -95.02 146.33 24.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.613 -0.721 . . . . 0.32 110.481 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.527 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 19.6 m-85 -55.71 -28.55 56.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.48 111.051 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -47.01 -62.77 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.955 0.883 . . . . 2.91 110.566 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.12 -28.14 67.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.025 -1.443 . . . . 1.88 111.909 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' 2088 ' ' ALA . 0.1 OUTLIER -73.36 -21.48 60.52 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.967 -0.293 . . . . 0.73 111.706 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.57 2.78 8.04 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.096 -1.049 . . . . 0.27 113.523 174.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 23.9 mm -73.83 128.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.068 0.461 . . . . 0.28 112.215 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -112.31 -164.2 0.9 Allowed 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.51 -0.922 . . . . 1.07 108.51 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -33.83 66.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.007 -0.677 . . . . 0.85 110.579 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' 2100 ' ' LEU . 14.1 mt -62.29 -48.17 81.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.37 -0.832 . . . . 1.65 110.336 -177.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.0 p -86.81 -11.64 50.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.059 -0.973 . . . . 0.27 112.229 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' 2119 ' ' ILE . . . -64.11 -41.45 97.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.071 0.462 . . . . 0.29 109.83 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' 2101 ' ' GLU . 3.7 pp -73.27 -39.06 65.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.193 -0.458 . . . . 0.4 110.24 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.479 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -60.37 -42.75 96.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.967 0.413 . . . . 0.72 111.345 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.8 tp -62.57 -50.67 70.38 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 116.011 -0.541 . . . . 0.65 110.67 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.426 ' HD2' ' O ' ' A' 2115 ' ' PRO . 37.8 ttp180 -57.99 -40.62 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.058 -0.519 . . . . 2.43 110.739 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.459 HD22 ' HA ' ' A' 2101 ' ' GLU . 80.5 m-20 -50.52 -49.42 55.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.072 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2105 ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' 2109 ' ' ASN . 18.0 m -68.25 -45.21 73.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.51 110.371 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.6 mt -57.37 -43.83 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 1.13 111.217 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' 2114 ' ' LEU . 27.5 m -64.58 -46.78 81.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.81 111.004 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 83.4 t60 -72.74 -33.12 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 2.81 111.373 -176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' 2105 ' ' THR . 2.7 t-20 -72.11 -35.67 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 2.6 111.068 -175.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 22.6 p -88.78 -39.82 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.479 -0.328 . . . . 1.03 111.385 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 111.01 -26.95 11.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.63 -0.795 . . . . 1.05 112.261 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' 2135 ' ' ARG . 95.4 mt -77.25 -175.15 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.316 0.579 . . . . 1.45 111.311 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -112.27 124.62 52.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.329 -0.851 . . . . 1.18 110.885 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.483 HD11 HD11 ' A' 2132 ' ' LEU . 2.6 mp -106.23 138.56 19.73 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.836 -0.62 . . . . 2.95 110.907 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.524 ' O ' ' HB2' ' A' 2118 ' ' LEU . 19.3 Cg_endo -65.56 145.77 82.96 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.043 2.495 . . . . 1.1 111.552 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.23 -13.77 25.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.038 2.492 . . . . 0.75 112.672 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.7 p -100.51 5.73 44.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.458 -0.337 . . . . 0.86 111.399 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.7 tm? -36.19 -67.09 0.18 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.7 113.114 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' 2099 ' ' ALA . 30.3 mm -74.73 -17.94 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.5 110.493 -177.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -74.86 -41.64 59.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.635 -0.711 . . . . 3.49 110.336 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.66 -46.54 15.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 2.0 111.604 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.17 65.84 58.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 C-N-CA 120.798 -0.361 . . . . 0.71 111.494 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -80.59 104.96 1.65 Allowed 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-N 120.398 1.178 . . . . 0.43 110.958 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.02 146.27 0.66 Allowed Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 114.779 -1.101 . . . . 0.5 108.816 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.29 -57.06 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 121.838 1.692 . . . . 0.25 112.545 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.596 ' O ' ' HB ' ' A' 2129 ' ' THR . 83.1 t60 -71.34 -36.07 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.332 . . . . 0.8 111.514 -175.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.11 94.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.595 -0.275 . . . . 0.34 111.343 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.27 -39.06 78.22 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.6 0.238 . . . . 0.64 110.612 173.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -53.58 -47.22 70.31 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.33 110.596 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.712 -0.676 . . . . 2.22 111.486 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.464 ' O ' ' HG2' ' A' 2135 ' ' ARG . 45.7 t60 -59.47 -56.85 16.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.924 0.393 . . . . 0.59 110.407 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.483 HD11 HD11 ' A' 2114 ' ' LEU . 3.7 mm? -64.24 -30.61 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.48 110.978 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.28 -42.99 99.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.67 110.151 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 23.9 m -70.17 -35.09 73.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.301 -0.409 . . . . 0.74 110.486 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.2 mmp_? -59.02 -58.0 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.184 -0.462 . . . . 3.18 111.895 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' 2049 ' ' MET . 4.1 mm? -66.11 -31.27 72.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.436 0.532 . . . . 2.37 112.436 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2137 ' ' THR . . . . . 0.545 HG22 HD11 ' A' 2054 ' ' LEU . 39.9 p -75.94 -31.55 59.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.219 0.533 . . . . 1.41 110.061 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -75.3 -28.3 59.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.367 -0.833 . . . . 2.57 110.608 172.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2139 ' ' SER . . . . . 0.664 ' HG ' ' N ' ' A' 2046 ' ' GLY . 21.6 p 53.46 -160.88 0.13 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.851 -1.068 . . . . 3.48 111.686 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 32.8 m170 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.341 -0.838 . . . . 6.78 111.121 -178.711 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 112.076 -0.41 . . . . 6.58 112.076 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.424 ' N ' ' HA2' ' A' 2053 ' ' GLY . 36.0 p -158.67 145.61 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.381 0.61 . . . . 4.27 110.752 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -83.35 21.06 1.2 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.172 -0.922 . . . . 6.67 110.97 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.684 ' HE3' HD21 ' A' 2136 ' ' LEU . 17.4 mmt -68.75 -71.61 0.21 Allowed 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 114.254 1.205 . . . . 3.75 114.254 -166.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -95.93 -65.47 0.97 Allowed 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 117.602 -1.639 . . . . 9.54 109.075 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.638 HD22 ' N ' ' A' 2052 ' ' ASN . 0.0 OUTLIER -136.92 -57.05 0.73 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.91 0.386 . . . . 6.31 110.405 147.231 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.638 ' N ' HD22 ' A' 2051 ' ' LEU . 2.3 p-10 -100.57 119.0 37.88 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.912 0.708 . . . . 4.71 112.912 178.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2053 ' ' GLY . . . . . 0.424 ' HA2' ' N ' ' A' 2047 ' ' SER . . . 36.22 62.34 0.75 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 116.921 1.528 . . . . 3.43 116.921 149.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 53.7 mt -57.88 145.25 36.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 118.71 1.255 . . . . 3.31 110.589 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 28.4 p -75.85 155.8 84.75 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 109.513 -0.551 . . . . 2.08 109.513 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -41.04 -50.66 4.11 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.329 2.686 . . . . 1.78 113.684 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' 2061 ' ' GLN . 14.0 tt0 -64.82 -48.1 75.62 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 112.077 0.399 . . . . 2.4 112.077 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -60.91 -36.99 80.71 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.639 0.257 . . . . 2.4 110.653 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.632 ' O ' HD13 ' A' 2063 ' ' LEU . 77.1 mt-30 -55.69 -58.9 5.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.653 . . . . 2.83 110.549 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -47.67 -38.21 14.51 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.485 0.55 . . . . 1.38 112.485 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' 2057 ' ' GLN . 65.5 mm-40 -64.65 -57.33 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.25 0.547 . . . . 1.97 110.43 178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 33.9 m -55.31 -53.85 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.242 -0.89 . . . . 0.83 111.256 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -57.76 -41.6 82.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.239 0.615 . . . . 0.92 112.052 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.65 71.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.161 0.505 . . . . 0.37 110.909 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 14.0 m -87.61 -33.97 18.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.42 109.741 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.75 -63.75 1.14 Allowed 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.421 -0.809 . . . . 0.37 110.793 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 2063 ' ' LEU . 5.9 p -54.76 -39.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.072 -0.513 . . . . 0.64 111.215 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.511 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -60.55 -52.08 66.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.29 110.943 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.18 -27.45 64.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.389 . . . . 0.29 110.986 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' 2074 ' ' VAL . . . -65.65 -55.36 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.34 110.6 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.49 ' CG2' HD12 ' A' 2083 ' ' ILE . 7.3 t -65.74 -27.42 68.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.444 0.64 . . . . 0.38 110.242 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.969 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -75.57 -19.64 59.15 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.028 -0.987 . . . . 0.54 110.733 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.7 m -83.08 -40.08 20.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.205 -0.452 . . . . 0.6 110.706 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.41 -40.33 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.78 110.01 -177.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 59.0 mt -85.78 165.84 16.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.678 -0.692 . . . . 1.24 111.024 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -85.84 42.92 3.19 Favored Glycine 0 N--CA 1.453 -0.226 0 CA-C-N 116.025 -0.534 . . . . 1.3 112.902 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 27.6 p80 -158.78 120.3 3.43 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.873 -1.158 . . . . 2.09 107.873 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.969 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 47.3 t-80 -126.23 68.92 1.21 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.088 0.947 . . . . 5.96 111.993 -174.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' 2081 ' ' GLU . 10.6 m -122.15 95.51 47.25 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 114.529 -1.214 . . . . 1.52 108.209 166.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.446 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 36.8 Cg_exo -62.29 -19.17 66.11 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.175 2.584 . . . . 0.7 111.988 -173.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2081 ' ' GLU . . . . . 0.437 ' HB3' HG22 ' A' 2079 ' ' THR . 31.7 tt0 -63.33 -27.97 69.68 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 115.272 -0.876 . . . . 2.96 111.084 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 29.1 t -94.64 -0.53 54.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.838 -0.619 . . . . 1.7 111.137 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.627 HD11 ' HB2' ' A' 2072 ' ' ALA . 6.2 mm -78.91 100.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 110.082 -0.34 . . . . 0.76 110.082 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -78.78 123.89 85.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.179 0.514 . . . . 0.42 110.837 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.86 -33.57 63.83 Favored 'Trans proline' 0 N--CA 1.472 0.209 0 C-N-CA 123.629 2.886 . . . . 0.36 113.533 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.0 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.389 -0.369 . . . . 0.47 111.824 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.2 m -78.22 152.49 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.238 0.542 . . . . 0.39 110.707 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -91.31 141.69 28.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.543 -0.753 . . . . 0.32 109.528 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.431 ' O ' ' HB ' ' A' 2094 ' ' ILE . 13.1 m-85 -55.24 -28.57 54.21 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.136 0.272 . . . . 0.48 111.504 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -57.87 -33.87 69.16 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.37 0.605 . . . . 2.91 110.844 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -90.23 -29.13 18.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.219 -0.9 . . . . 1.88 111.192 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.7 OUTLIER -65.33 -22.26 66.8 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.079 -0.248 . . . . 0.73 111.502 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.92 -1.48 8.47 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.293 -0.956 . . . . 0.27 111.793 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' 2089 ' ' PHE . 33.2 mm -70.88 126.7 31.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.966 0.412 . . . . 0.28 111.577 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -107.78 -170.25 1.66 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.78 -1.193 . . . . 1.07 107.78 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -21.83 60.09 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.447 -1.301 . . . . 0.85 109.451 175.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' 2100 ' ' LEU . 28.2 mt -64.52 -55.36 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.866 -1.061 . . . . 1.65 110.111 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.61 -12.32 58.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.356 -0.838 . . . . 0.27 112.05 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.84 -42.86 99.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 0.29 110.541 175.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' 2101 ' ' GLU . 3.6 pp -71.69 -38.48 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 0.4 110.33 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.559 ' N ' HD12 ' A' 2100 ' ' LEU . 6.2 mm-40 -59.14 -39.47 82.48 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.111 0.482 . . . . 0.72 110.688 176.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.6 OUTLIER -62.26 -49.86 74.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.095 -0.502 . . . . 0.65 110.404 176.562 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' 2099 ' ' ALA . 15.7 mtm180 -55.75 -43.4 76.61 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.226 0.536 . . . . 2.43 109.621 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.434 HD22 ' HA ' ' A' 2101 ' ' GLU . 96.0 m-20 -54.59 -42.33 70.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.966 -1.015 . . . . 0.48 111.355 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.6 m -75.56 -43.32 49.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.316 -0.402 . . . . 0.51 111.12 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' 2102 ' ' LEU . 81.0 mt -59.52 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.452 . . . . 1.13 110.837 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.626 HG23 ' O ' ' A' 2112 ' ' LEU . 12.4 m -66.18 -39.62 89.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.68 -0.691 . . . . 0.81 110.69 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -60.92 -29.19 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.832 -0.622 . . . . 2.81 111.095 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -85.11 -41.9 15.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.113 0.482 . . . . 2.6 111.097 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 67.6 p -89.51 -31.23 17.74 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.838 0.681 . . . . 1.03 112.838 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.09 0.66 89.19 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.324 -0.71 . . . . 1.05 111.324 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' 2107 ' ' THR . 23.1 mt -87.74 120.46 29.08 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.815 0.446 . . . . 1.45 110.959 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -54.01 142.23 25.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.638 -0.71 . . . . 1.18 110.538 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.495 HD22 ' C ' ' A' 2114 ' ' LEU . 0.0 OUTLIER -131.15 156.69 79.78 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.209 0.448 . . . . 2.95 112.209 -172.366 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' 2118 ' ' LEU . 40.6 Cg_endo -94.36 149.73 1.96 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.374 3.383 . . . . 1.1 112.433 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.06 -7.89 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.721 2.28 . . . . 0.75 112.167 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2117 ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' 2120 ' ' PHE . 3.7 p -100.9 4.42 42.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.433 -0.803 . . . . 0.86 110.583 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.8 -66.53 0.36 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.522 -0.763 . . . . 0.7 112.144 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.28 -21.27 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.45 0.643 . . . . 0.5 110.189 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2120 ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' 2117 ' ' THR . 9.3 t80 -60.52 -50.0 75.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.294 -0.866 . . . . 3.49 110.2 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.33 -45.0 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 2.0 112.077 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -125.93 68.43 63.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 C-N-CA 120.527 -0.469 . . . . 0.71 111.901 -171.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.61 103.87 1.41 Allowed 'Trans proline' 0 N--CA 1.442 -1.55 0 CA-C-N 120.604 1.251 . . . . 0.43 110.201 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.17 142.63 0.45 Allowed Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.991 -1.004 . . . . 0.5 108.949 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.425 ' O ' HG11 ' A' 2067 ' ' VAL . 34.9 Cg_exo -61.38 -56.43 0.86 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 121.683 1.588 . . . . 0.25 111.664 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2126 ' ' HIS . . . . . . . . . . . . . 78.0 t60 -61.39 -41.92 97.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.8 112.218 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.4 75.99 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.825 0.306 . . . . 0.34 111.825 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' 2128 ' ' LEU . 26.6 mt -63.74 -33.79 76.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.766 -0.374 . . . . 0.64 110.85 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.408 HG23 ' CB ' ' A' 2063 ' ' LEU . 66.0 m -54.62 -44.26 72.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.33 109.757 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -66.82 -45.01 79.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.961 -1.018 . . . . 2.22 110.382 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -61.26 -51.22 69.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.59 110.858 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 2112 ' ' LEU . 4.1 mm? -68.19 -28.28 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.829 -0.348 . . . . 0.48 110.617 -178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -67.9 -31.35 71.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.116 0.484 . . . . 0.67 110.628 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.456 ' O ' ' HG3' ' A' 2138 ' ' GLN . 23.8 m -69.57 -24.29 63.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.74 110.446 178.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.54 ' HB3' HD22 ' A' 2112 ' ' LEU . 10.8 mmm180 -65.93 -31.64 72.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.692 -174.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.684 HD21 ' HE3' ' A' 2049 ' ' MET . 0.8 OUTLIER -89.95 -44.04 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.617 0.722 . . . . 2.37 109.345 -178.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 20.0 p -71.22 -11.96 61.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.586 -1.188 . . . . 1.41 111.633 -171.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' 2134 ' ' THR . 30.0 mt-30 -72.06 -11.86 60.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.021 -0.536 . . . . 2.57 111.301 174.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 14.9 m 68.7 -174.3 0.19 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.657 0.598 . . . . 3.48 110.8 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 69.1 m-70 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.493 -0.765 . . . . 6.78 110.155 177.271 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 N-CA-C 111.872 -0.491 . . . . 6.58 111.872 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.52 ' O ' HD12 ' A' 2136 ' ' LEU . 22.0 m -101.49 11.51 38.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 121.174 -0.21 . . . . 4.27 111.206 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 13.6 m170 -79.52 23.69 0.39 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.848 0.356 . . . . 6.67 110.622 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.455 ' H ' ' C ' ' A' 2047 ' ' SER . 10.0 ptt? -34.33 -51.7 0.46 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.11 1.364 . . . . 3.75 114.482 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' 2050 ' ' ARG . 13.7 mmt180 -107.87 -10.85 15.47 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.488 -0.323 . . . . 9.54 111.524 -174.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.451 HD23 HD11 ' A' 2136 ' ' LEU . 2.9 mm? -120.71 23.87 10.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.989 0.423 . . . . 6.31 111.056 -174.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.6 p30 -59.44 128.97 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 4.71 110.68 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.79 -26.78 12.05 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.969 -0.634 . . . . 3.43 112.589 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.7 142.81 32.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.347 0.594 . . . . 3.31 112.028 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' 2059 ' ' GLN . 7.3 p -81.99 158.09 67.9 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.067 -0.97 . . . . 2.08 109.064 170.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.425 ' HA ' ' HE2' ' A' 2133 ' ' HIS . 56.1 Cg_exo -38.58 -54.18 1.62 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.79 2.993 . . . . 1.78 114.454 -176.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.98 -41.77 99.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.887 0.328 . . . . 2.4 111.887 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' 2061 ' ' GLN . 12.6 mm100 -69.86 -28.74 65.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.228 0.537 . . . . 2.4 110.521 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.638 ' O ' HD13 ' A' 2063 ' ' LEU . 48.5 mt-30 -64.76 -49.13 71.96 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.434 -0.58 . . . . 2.83 109.434 173.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.07 -48.42 70.63 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.503 0.557 . . . . 1.38 112.503 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' 2058 ' ' GLN . 12.3 pt20 -61.7 -36.78 81.9 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.007 -0.677 . . . . 1.97 110.547 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 97.2 m -59.29 -60.35 4.0 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 0.83 110.732 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' 2059 ' ' GLN . 7.4 mp -57.69 -34.6 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.92 112.243 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.37 65.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.37 110.797 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 25.9 m -85.28 -35.67 21.36 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.014 -0.736 . . . . 0.42 109.014 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 16.8 tp -56.95 -61.74 2.23 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.065 -0.971 . . . . 0.37 110.671 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -56.24 -39.51 60.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.146 -0.479 . . . . 0.64 111.561 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.27 -55.34 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 0.29 110.447 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.58 68.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.368 . . . . 0.29 110.609 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.69 -51.75 63.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.032 -0.531 . . . . 0.34 110.591 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.523 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.1 t -74.73 -22.36 58.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.405 0.621 . . . . 0.38 110.167 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -72.61 -20.03 61.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.261 -0.881 . . . . 0.54 110.396 173.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.1 m -84.43 -31.11 24.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 0.6 110.542 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -78.26 -45.01 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.05 0.452 . . . . 0.78 109.83 -179.066 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.6 mt -91.8 133.01 36.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.818 -0.628 . . . . 1.24 110.576 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -63.92 -19.9 63.85 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 115.345 0.898 . . . . 1.3 115.345 -170.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 22.1 p80 -58.47 -35.64 72.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 117.941 0.871 . . . . 2.09 110.466 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.578 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 25.1 t-80 37.89 79.62 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.953 1.094 . . . . 5.96 113.953 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 34.8 m -152.5 99.93 2.8 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.441 -0.8 . . . . 1.52 109.0 169.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.478 ' HA ' HD12 ' A' 2083 ' ' ILE . 18.8 Cg_exo -67.01 -19.21 51.97 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.511 2.141 . . . . 0.7 111.436 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.39 -50.25 31.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.981 -1.008 . . . . 2.96 112.472 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.4 t -99.33 13.65 32.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 1.7 111.627 -171.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.523 HD13 ' CG2' ' A' 2071 ' ' THR . 25.5 mt -86.28 93.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 0.76 110.07 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 41.1 m -72.26 133.91 83.05 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.653 -0.703 . . . . 0.42 111.054 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 52.8 Cg_endo -66.91 -32.05 36.75 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 123.609 2.872 . . . . 0.36 113.782 -172.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.34 -3.13 58.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.1 0.408 . . . . 0.47 112.1 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.8 m -84.91 151.63 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.156 0.503 . . . . 0.39 110.216 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -88.32 139.49 30.44 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.414 -0.812 . . . . 0.32 109.75 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.436 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 17.0 m-85 -58.15 -23.67 56.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.612 -0.267 . . . . 0.48 111.094 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -47.01 -61.21 1.98 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.87 0.843 . . . . 2.91 110.154 167.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.34 -29.86 69.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.127 -1.397 . . . . 1.88 111.588 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -22.78 62.89 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.808 -0.357 . . . . 0.73 111.903 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.13 11.76 8.05 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.108 -1.044 . . . . 0.27 113.007 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.483 HD11 ' OG1' ' A' 2071 ' ' THR . 26.9 mm -80.44 128.89 38.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.479 . . . . 0.28 111.976 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -110.99 -165.87 1.03 Allowed 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.528 -0.916 . . . . 1.07 108.528 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.11 -39.95 75.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.46 0.647 . . . . 0.85 110.119 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' 2100 ' ' LEU . 37.6 tp -55.97 -53.82 52.26 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.523 -1.217 . . . . 1.65 111.357 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.3 p -81.79 -13.58 57.52 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.958 -0.565 . . . . 0.27 112.159 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.18 -45.72 90.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 0.29 109.897 174.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -71.26 -36.23 71.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.4 110.621 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' 2100 ' ' LEU . 9.1 mm-40 -60.41 -42.68 96.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.013 0.435 . . . . 0.72 111.367 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.0 OUTLIER -60.14 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.608 -0.516 . . . . 0.65 109.608 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -54.61 -40.63 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.538 -0.755 . . . . 2.43 111.08 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -53.54 -50.07 66.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.48 110.859 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.5 m -66.44 -42.04 88.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.51 110.934 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.507 HD11 HD13 ' A' 2128 ' ' LEU . 93.1 mt -63.14 -45.92 89.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.049 -0.523 . . . . 1.13 110.836 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.428 HG23 ' O ' ' A' 2112 ' ' LEU . 99.7 m -61.38 -48.67 80.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.267 -0.879 . . . . 0.81 110.808 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -68.24 -27.6 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.81 111.129 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -72.65 -40.83 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 2.6 110.923 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.6 p -85.38 -41.38 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.308 -0.406 . . . . 1.03 111.666 -175.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.46 -20.12 37.99 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.669 -0.777 . . . . 1.05 112.823 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' 2107 ' ' THR . 2.3 pp -86.27 -175.87 5.68 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.754 0.311 . . . . 1.45 110.499 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -106.06 138.69 41.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.182 -0.463 . . . . 1.18 110.845 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.503 HD11 HD11 ' A' 2132 ' ' LEU . 91.9 mt -121.38 139.61 29.96 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.615 -0.72 . . . . 2.95 110.105 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.506 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.7 Cg_endo -63.24 147.17 94.11 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.875 2.383 . . . . 1.1 111.75 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -62.15 -8.77 12.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.057 2.505 . . . . 0.75 112.358 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 5.6 p -100.95 3.38 41.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 0.86 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.6 tm? -36.71 -65.65 0.27 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.047 0.939 . . . . 0.7 112.709 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' 2099 ' ' ALA . 33.4 mm -76.56 -21.4 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.255 0.55 . . . . 0.5 110.741 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -69.66 -35.59 75.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.595 . . . . 3.49 110.195 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.45 -43.48 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 2.0 112.128 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -125.45 64.73 48.77 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-O 119.228 -0.415 . . . . 0.71 111.676 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -81.88 104.63 1.44 Allowed 'Trans proline' 0 N--CA 1.444 -1.417 0 CA-C-N 120.623 1.258 . . . . 0.43 110.953 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.7 138.39 0.4 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 114.797 -1.092 . . . . 0.5 108.501 171.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.51 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.7 Cg_exo -56.36 -57.24 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 121.835 1.69 . . . . 0.25 112.104 -175.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.619 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.0 t60 -67.55 -34.07 76.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.8 111.54 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.11 85.46 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.758 0.313 . . . . 0.34 110.957 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.507 HD13 HD11 ' A' 2106 ' ' LEU . 47.5 mt -60.06 -37.2 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.64 110.3 172.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.619 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -54.4 -44.25 72.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.33 110.409 174.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' 2126 ' ' HIS . 19.8 mt-30 -67.06 -47.41 71.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 2.22 109.815 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -58.61 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.936 -0.575 . . . . 0.59 110.907 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.503 HD11 HD11 ' A' 2114 ' ' LEU . 3.7 mm? -65.4 -28.63 69.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.037 -0.529 . . . . 0.48 111.252 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2133 ' ' HIS . . . . . 0.425 ' HE2' ' HA ' ' A' 2056 ' ' PRO . 26.6 t-80 -71.84 -31.09 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.576 -0.45 . . . . 0.67 109.987 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 65.8 m -70.31 -41.03 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.74 109.95 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.423 ' HD2' ' OE1' ' A' 2138 ' ' GLN . 10.7 mmm180 -57.72 -46.18 84.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.97 0.891 . . . . 3.18 109.231 172.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' 2047 ' ' SER . 12.7 tp -66.45 -21.17 66.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.958 -1.474 . . . . 2.37 112.798 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 18.0 p -110.48 -4.03 15.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.949 0.404 . . . . 1.41 111.567 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.423 ' OE1' ' HD2' ' A' 2135 ' ' ARG . 5.8 mt-30 -54.34 -46.78 72.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.407 -0.815 . . . . 2.57 111.951 -176.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 19.8 m -101.22 127.15 47.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.971 -0.381 . . . . 3.48 109.971 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.8 p80 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.478 -0.772 . . . . 6.78 110.557 179.337 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.472 ' C28' ' HB2' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.559 0 N-CA-C 111.816 -0.514 . . . . 6.58 111.816 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' 2136 ' ' LEU . 89.0 p -156.85 171.07 21.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.978 -0.378 . . . . 4.27 109.978 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 15.9 p80 -96.39 20.67 10.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.558 -0.534 . . . . 6.67 109.558 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.472 ' HB3' HG22 ' A' 2137 ' ' THR . 22.1 mmt -100.93 -0.39 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.373 0.879 . . . . 3.75 113.373 -167.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -55.11 4.13 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.223 -1.391 . . . . 9.54 112.123 -166.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 94.1 mt -124.77 -50.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.931 0.715 . . . . 6.31 112.931 -172.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -79.03 124.72 28.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.004 0.742 . . . . 4.71 113.004 -165.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 82.98 -35.17 2.75 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 114.878 -1.055 . . . . 3.43 114.518 168.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.699 HD22 ' HG3' ' A' 2059 ' ' GLN . 0.1 OUTLIER -103.58 121.65 43.34 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 117.772 0.786 . . . . 3.31 111.891 177.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.551 ' O ' HD12 ' A' 2054 ' ' LEU . 16.3 t -94.6 144.22 27.55 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 106.923 -1.51 . . . . 2.08 106.923 167.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' 2060 ' ' GLN . 65.9 Cg_exo -37.0 -45.82 1.33 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.945 3.097 . . . . 1.78 115.319 -168.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -67.14 -29.36 69.06 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.01 0.374 . . . . 2.4 112.01 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -59.58 -51.76 68.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.001 0.371 . . . . 2.4 112.001 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.699 ' HG3' HD22 ' A' 2054 ' ' LEU . 6.5 mm100 -73.11 -34.39 66.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.084 -0.646 . . . . 2.83 111.452 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' 2056 ' ' PRO . 72.7 mt-30 -57.47 -43.92 84.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.663 -0.415 . . . . 1.38 111.994 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.38 -39.29 88.98 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.276 -0.57 . . . . 1.97 110.441 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.1 m -57.89 -59.8 4.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.83 110.881 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -59.34 -37.73 78.57 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.232 0.613 . . . . 0.92 112.376 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.14 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.123 0.487 . . . . 0.37 110.735 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.2 m -86.39 -35.43 19.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 0.42 109.357 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 11.9 tp -58.88 -62.93 1.5 Allowed 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.303 -0.862 . . . . 0.37 111.034 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' 2063 ' ' LEU . 7.6 p -53.43 -41.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 123.289 0.368 . . . . 0.64 111.525 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' 2071 ' ' THR . . . -61.44 -55.07 35.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.406 . . . . 0.29 110.997 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.34 -36.48 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 0.29 110.477 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.681 ' O ' HG13 ' A' 2074 ' ' VAL . . . -58.17 -56.91 15.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.511 -0.768 . . . . 0.34 110.157 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.546 ' HB ' HD11 ' A' 2102 ' ' LEU . 8.7 t -65.08 -34.82 79.33 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.188 0.518 . . . . 0.38 110.821 -174.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.738 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -73.32 -20.12 60.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.038 -0.528 . . . . 0.54 111.053 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 85.5 m -86.48 -40.45 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.246 0.341 . . . . 0.6 111.619 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -64.06 -34.88 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.59 0.71 . . . . 0.78 109.23 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.52 ' HB2' ' CE1' ' A' 2077 ' ' HIS . 51.6 mt -90.72 -29.37 17.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.974 -1.012 . . . . 1.24 111.326 174.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 54.9 78.11 0.13 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 121.47 -0.395 . . . . 1.3 112.164 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2077 ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' 2075 ' ' LEU . 0.0 OUTLIER -172.9 5.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 114.032 1.123 . . . . 2.09 114.032 -169.091 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 13.4 m80 -155.39 157.28 36.81 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.053 0.76 . . . . 5.96 113.053 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 45.2 m -80.13 119.98 78.23 Favored Pre-proline 0 N--CA 1.447 -0.595 0 CA-C-N 114.605 -1.179 . . . . 1.52 108.548 164.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.425 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 37.2 Cg_exo -59.08 -23.43 68.85 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.815 2.343 . . . . 0.7 112.851 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.32 -28.6 68.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.245 0.545 . . . . 2.96 110.364 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 46.9 t -81.18 -16.47 52.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.376 -0.829 . . . . 1.7 110.991 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' 2072 ' ' ALA . 22.0 mt -68.91 118.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.391 -0.822 . . . . 0.76 111.181 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.433 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.5 m -81.78 131.25 58.0 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.716 -0.675 . . . . 0.42 110.875 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.528 ' O ' ' HD2' ' A' 2125 ' ' PRO . 50.6 Cg_endo -64.77 -27.3 59.89 Favored 'Trans proline' 0 N--CA 1.472 0.226 0 C-N-CA 123.74 2.96 . . . . 0.36 113.647 -175.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.68 7.39 39.68 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.917 0.71 . . . . 0.47 112.917 -177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.7 m -95.02 150.2 20.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.504 0.668 . . . . 0.39 111.573 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.17 135.25 34.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.125 -0.943 . . . . 0.32 109.683 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.519 ' HA ' HD23 ' A' 2092 ' ' LEU . 24.7 m-85 -53.07 -29.99 33.49 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.218 0.821 . . . . 0.48 113.218 -177.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2090 ' ' LYS . . . . . 0.658 ' HD2' ' H ' ' A' 2090 ' ' LYS . 0.0 OUTLIER -56.44 -44.26 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.603 . . . . 2.91 109.682 175.012 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.23 -36.35 83.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.834 -1.076 . . . . 1.88 111.04 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.0 OUTLIER -72.03 -20.5 61.68 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.623 -0.262 . . . . 0.73 111.427 -179.055 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.89 2.31 9.43 Favored Glycine 0 N--CA 1.454 -0.167 0 C-N-CA 120.48 -0.866 . . . . 0.27 112.482 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.488 HG13 ' HB3' ' A' 2089 ' ' PHE . 30.9 mm -68.23 131.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.898 0.38 . . . . 0.28 111.706 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -113.36 -161.62 0.77 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.897 -0.592 . . . . 1.07 109.569 174.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 15.6 p -64.03 -51.26 65.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.627 0.727 . . . . 0.85 111.187 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.808 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.6 mt -67.67 -53.97 23.4 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.575 -1.193 . . . . 1.65 111.003 -175.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -65.93 -16.25 63.7 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.613 -0.721 . . . . 0.27 112.329 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.471 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -65.17 -47.96 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.78 -0.452 . . . . 0.29 109.78 171.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.3 pp -68.29 -38.01 81.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.381 -0.528 . . . . 0.4 109.674 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.539 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -59.05 -45.25 91.24 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.873 0.368 . . . . 0.72 111.55 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.546 HD11 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -57.53 -55.44 34.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.34 -0.391 . . . . 0.65 110.59 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 40.8 ptt85 -63.34 -33.17 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.728 -0.389 . . . . 2.43 110.045 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.425 HD22 ' HA ' ' A' 2101 ' ' GLU . 79.4 m-20 -52.98 -48.06 67.72 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.347 0.594 . . . . 0.48 109.986 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2105 ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' 2109 ' ' ASN . 17.8 m -63.92 -54.02 41.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.996 -1.002 . . . . 0.51 111.307 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' 2103 ' ' ARG . 2.2 pp -70.79 -24.23 62.54 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.874 -0.331 . . . . 1.13 111.872 -175.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.9 m -69.78 -53.44 18.31 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.293 0.568 . . . . 0.81 110.404 173.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.71 -24.79 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 2.81 110.942 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.3 t-20 -67.84 -35.33 78.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 2.6 111.096 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.7 p -98.1 -33.67 11.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.07 0.396 . . . . 1.03 112.07 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.71 14.58 21.07 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.757 -0.735 . . . . 1.05 111.896 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.486 ' CD2' HD13 ' A' 2136 ' ' LEU . 86.4 mt -81.19 -178.42 6.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.62 0.724 . . . . 1.45 112.671 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -130.87 115.42 16.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.282 -1.326 . . . . 1.18 108.338 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.562 HD23 ' HG ' ' A' 2118 ' ' LEU . 2.1 mp -123.23 155.17 65.21 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-O 121.183 0.516 . . . . 2.95 112.246 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' 2118 ' ' LEU . 68.2 Cg_endo -77.15 152.17 30.89 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.404 2.736 . . . . 1.1 112.385 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.52 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 55.5 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.95 2.433 . . . . 0.75 112.106 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 3.47 42.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.86 110.588 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.562 ' HG ' HD23 ' A' 2114 ' ' LEU . 2.0 tm? -37.65 -62.21 0.55 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.807 -1.088 . . . . 0.7 112.661 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.471 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.7 mm -73.31 -25.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.5 110.912 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.02 -50.58 61.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.994 -0.548 . . . . 3.49 110.531 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.89 -38.9 64.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.63 -0.714 . . . . 2.0 112.616 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -129.8 64.97 73.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.218 -0.593 . . . . 0.71 111.344 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -81.96 103.88 1.36 Allowed 'Trans proline' 0 N--CA 1.445 -1.376 0 CA-C-N 120.349 1.16 . . . . 0.43 111.371 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.95 144.09 0.43 Allowed Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 124.373 1.069 . . . . 0.5 108.286 170.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.532 ' O ' HG11 ' A' 2067 ' ' VAL . 37.9 Cg_exo -57.76 -54.97 2.7 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 121.57 1.513 . . . . 0.25 112.004 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.508 ' O ' ' HB ' ' A' 2129 ' ' THR . 84.9 t60 -68.43 -34.97 76.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.463 -0.335 . . . . 0.8 111.581 -176.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.95 92.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.756 0.312 . . . . 0.34 110.894 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 2128 ' ' LEU . 36.6 mt -63.53 -35.26 79.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.64 110.523 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' 2126 ' ' HIS . 86.5 m -51.28 -52.16 47.63 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.348 0.594 . . . . 0.33 110.97 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -67.45 -44.09 79.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.154 -0.93 . . . . 2.22 110.594 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.759 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.7 t60 -59.04 -57.65 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.59 110.147 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.508 HD11 HD21 ' A' 2114 ' ' LEU . 4.4 mm? -60.46 -33.48 72.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.48 111.423 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -64.02 -57.54 9.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.839 -0.43 . . . . 0.67 109.839 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.427 ' O ' ' HB3' ' A' 2138 ' ' GLN . 2.8 m -64.27 -22.87 67.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.74 111.866 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.759 ' HG2' ' O ' ' A' 2131 ' ' HIS . 6.0 mmp_? -58.22 -50.79 72.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.056 0.455 . . . . 3.18 111.008 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' 2112 ' ' LEU . 6.5 tp -95.73 -31.13 13.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.872 -0.603 . . . . 2.37 111.365 -172.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2137 ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' 2049 ' ' MET . 65.9 p -73.13 -46.6 50.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.252 0.549 . . . . 1.41 110.002 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.0 OUTLIER -75.76 -21.02 57.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.373 -0.831 . . . . 2.57 109.736 176.006 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 36.9 m 67.95 177.87 0.24 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.997 -1.002 . . . . 3.48 111.977 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 47.8 m80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.793 -0.622 . . . . 6.78 110.675 -179.193 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.505 ' C30' HD21 ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.94 -0.464 . . . . 6.58 111.94 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.402 ' HB3' HD23 ' A' 2112 ' ' LEU . 8.1 m -95.42 3.19 54.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.075 0.464 . . . . 4.27 110.897 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.525 ' C ' ' H ' ' A' 2050 ' ' ARG . 51.8 m170 -91.91 23.11 3.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.091 0.948 . . . . 6.67 109.72 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.453 ' HE2' HD11 ' A' 2136 ' ' LEU . 11.8 ptt? -65.97 20.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.949 -1.478 . . . . 3.75 111.82 171.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.555 ' HA ' ' NE2' ' A' 2059 ' ' GLN . 19.9 mtm180 -86.93 -51.56 5.97 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.129 0.49 . . . . 9.54 110.938 -174.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 77.6 mt -115.14 -24.64 8.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.581 -0.736 . . . . 6.31 111.412 -174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2052 ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' 2054 ' ' LEU . 43.5 t30 -77.5 115.35 17.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.814 -0.355 . . . . 4.71 110.71 -175.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 68.04 -32.48 0.24 Allowed Glycine 0 CA--C 1.524 0.596 0 CA-C-N 115.37 -0.832 . . . . 3.43 114.365 177.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' 2052 ' ' ASN . 0.5 OUTLIER -100.93 141.82 33.29 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.791 0.805 . . . . 3.31 113.028 -174.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.578 ' H ' ' HB2' ' A' 2058 ' ' GLN . 62.1 p -97.92 167.66 11.31 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 114.386 -1.279 . . . . 2.08 108.037 166.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.601 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 77.9 Cg_exo -42.05 -44.98 7.34 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.542 2.161 . . . . 1.78 112.895 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.502 ' O ' ' HG2' ' A' 2061 ' ' GLN . 98.4 mt-30 -66.93 -50.44 62.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.188 -0.46 . . . . 2.4 111.275 177.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.578 ' HB2' ' H ' ' A' 2055 ' ' SER . 46.0 mt-30 -56.99 -35.26 68.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.399 -0.364 . . . . 2.4 111.671 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.686 ' O ' HD13 ' A' 2063 ' ' LEU . 47.1 mt-30 -55.8 -59.89 4.23 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.594 -0.521 . . . . 2.83 109.594 174.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -54.72 -38.2 66.8 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.063 -0.517 . . . . 1.38 112.053 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 2057 ' ' GLN . 12.9 mm100 -59.56 -55.3 36.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 1.97 110.085 176.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.3 m -50.7 -58.96 4.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.092 -0.958 . . . . 0.83 111.249 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' 2059 ' ' GLN . 3.9 mp -54.73 -42.51 71.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.601 -0.727 . . . . 0.92 112.07 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.16 69.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.825 0.345 . . . . 0.37 111.083 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.5 m -80.01 -35.86 36.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.167 -0.679 . . . . 0.42 109.167 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.35 -63.22 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.828 -1.078 . . . . 0.37 110.918 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.17 -39.06 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.64 111.189 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.565 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.16 -53.24 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.03 -0.532 . . . . 0.29 111.078 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.489 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -64.61 -35.97 82.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.825 0.345 . . . . 0.29 110.478 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.656 ' O ' HG13 ' A' 2074 ' ' VAL . . . -59.98 -62.23 2.02 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.656 -0.702 . . . . 0.34 110.012 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.409 ' HA ' ' HG ' ' A' 2102 ' ' LEU . 6.3 t -61.25 -32.54 72.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.38 111.416 -176.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.83 -26.61 62.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.183 -0.462 . . . . 0.54 111.213 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.8 m -88.34 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.114 0.259 . . . . 0.6 111.577 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.3 -37.85 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.633 0.73 . . . . 0.78 109.092 178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.14 -33.77 15.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.893 -1.048 . . . . 1.24 111.208 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 60.14 80.86 0.09 OUTLIER Glycine 0 C--N 1.331 0.256 0 N-CA-C 111.46 -0.656 . . . . 1.3 111.46 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.95 0.18 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.638 0.977 . . . . 2.09 113.638 -168.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 48.9 t60 -157.57 145.82 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.879 -0.728 . . . . 5.96 111.845 -169.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 48.9 m -71.9 120.27 79.15 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.519 -0.764 . . . . 1.52 109.938 173.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.489 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 50.4 Cg_exo -56.66 -32.97 92.39 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.363 2.709 . . . . 0.7 112.615 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.18 -27.68 69.53 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.547 -0.751 . . . . 2.96 111.173 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.6 t -105.2 17.55 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 1.7 111.181 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.565 HG13 ' HB1' ' A' 2068 ' ' ALA . 3.9 mm -72.67 118.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.46 -0.571 . . . . 0.76 109.46 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.2 m -81.63 122.93 80.99 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.995 0.426 . . . . 0.42 110.808 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 55.3 Cg_endo -65.17 -31.04 54.87 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.897 3.065 . . . . 0.36 113.647 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.1 -15.06 59.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.288 0.477 . . . . 0.47 112.288 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.1 m -83.45 148.45 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.39 110.846 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' 2092 ' ' LEU . . . -84.86 136.2 33.76 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.268 -0.878 . . . . 0.32 109.213 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' 2094 ' ' ILE . 13.9 m-85 -49.5 -34.74 17.86 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.542 0.526 . . . . 0.48 111.414 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -49.24 61.21 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.518 -0.764 . . . . 2.91 110.648 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.65 -38.8 92.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.447 -0.797 . . . . 1.88 111.85 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' 2088 ' ' ALA . 1.0 OUTLIER -69.49 -21.14 63.71 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.131 -0.228 . . . . 0.73 111.364 -176.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.6 5.99 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.248 -0.977 . . . . 0.27 112.523 177.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' 2094 ' ' ILE . 27.9 mm -69.3 118.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.172 0.511 . . . . 0.28 111.339 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -93.73 -172.45 2.88 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.089 -1.078 . . . . 1.07 108.089 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.03 -21.58 54.32 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 119.655 -0.818 . . . . 0.85 109.29 174.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' A' 2100 ' ' LEU . 17.6 mt -71.55 -50.07 34.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.595 -1.184 . . . . 1.65 110.504 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -14.48 58.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.665 -0.698 . . . . 0.27 112.136 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.29 110.609 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -73.09 -36.74 66.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.4 110.451 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.48 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -62.24 -40.43 96.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.72 111.209 178.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.496 HD23 ' HB1' ' A' 2070 ' ' ALA . 1.1 tt -56.48 -54.98 39.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.65 109.635 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -55.12 -47.77 74.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.01 -0.995 . . . . 2.43 110.233 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -50.02 -46.48 52.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 0.48 110.83 177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 22.8 m -65.31 -52.97 50.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.51 111.536 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' 2107 ' ' THR . 3.2 pp -70.32 -28.59 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 1.13 111.602 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.54 ' N ' HD12 ' A' 2106 ' ' LEU . 92.5 m -65.6 -46.01 80.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.22 0.533 . . . . 0.81 110.124 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 77.8 t60 -63.99 -32.41 73.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.598 -0.728 . . . . 2.81 111.143 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -82.05 -28.38 32.46 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.148 0.425 . . . . 2.6 112.148 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 29.3 p -90.44 -39.69 12.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 1.03 111.153 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 107.79 -30.36 9.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.902 -0.666 . . . . 1.05 112.324 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.464 ' H ' ' HG ' ' A' 2112 ' ' LEU . 1.2 pp -93.18 157.99 15.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.793 0.33 . . . . 1.45 110.349 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.54 123.96 34.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.786 -170.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.405 ' HB3' HD21 ' A' 2118 ' ' LEU . 2.6 mm? -104.9 144.08 28.0 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 2.95 110.336 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.18 143.78 84.9 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.018 2.478 . . . . 1.1 112.611 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.87 -10.67 18.1 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.09 2.527 . . . . 0.75 111.894 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2117 ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' 2120 ' ' PHE . 2.9 p -88.6 5.36 43.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.86 111.42 177.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' 2114 ' ' LEU . 0.4 OUTLIER -34.57 -70.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.773 0.657 . . . . 0.7 112.773 170.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.407 ' CD1' HD11 ' A' 2128 ' ' LEU . 12.0 mm -81.29 -0.17 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 122.017 0.913 . . . . 0.5 109.819 -173.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2120 ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' 2117 ' ' THR . 4.7 t80 -83.66 -47.14 11.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.899 -1.046 . . . . 3.49 109.221 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.92 -42.22 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.698 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.9 m80 -121.81 58.66 9.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 119.074 -0.488 . . . . 0.71 111.786 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.7 104.28 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 CA-C-N 120.905 1.359 . . . . 0.43 111.315 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.75 146.87 0.61 Allowed Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.672 -1.233 . . . . 0.5 107.672 171.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.448 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.7 Cg_exo -57.8 -52.03 6.87 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.449 1.433 . . . . 0.25 111.227 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.643 ' O ' ' HG3' ' A' 2130 ' ' GLN . 81.3 t60 -66.08 -37.15 85.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.819 -0.628 . . . . 0.8 111.156 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2127 ' ' ALA . . . . . 0.445 ' HA ' ' OE1' ' A' 2130 ' ' GLN . . . -66.3 -39.19 89.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.556 -0.293 . . . . 0.34 111.451 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' 2119 ' ' ILE . 20.1 mt -65.07 -40.1 94.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.688 -0.486 . . . . 0.64 109.688 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -52.49 -41.86 63.77 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.348 0.405 . . . . 0.33 110.296 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' 2126 ' ' HIS . 32.2 mt-30 -63.47 -48.99 75.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 2.22 109.953 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.56 -49.57 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.59 110.74 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' 2135 ' ' ARG . 3.6 mm? -62.93 -32.39 73.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.678 -0.692 . . . . 0.48 110.635 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -72.82 -33.52 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.06 -0.348 . . . . 0.67 110.06 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.59 ' HA ' ' OG1' ' A' 2137 ' ' THR . 33.0 m -64.44 -30.8 71.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.74 109.935 176.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' 2132 ' ' LEU . 8.8 mmm180 -56.79 -33.74 66.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 3.18 111.296 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.453 HD11 ' HE2' ' A' 2049 ' ' MET . 1.0 OUTLIER -89.7 -35.83 15.56 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.367 -0.379 . . . . 2.37 110.995 -179.437 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2137 ' ' THR . . . . . 0.59 ' OG1' ' HA ' ' A' 2134 ' ' THR . 52.7 p -77.82 -18.22 56.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 1.41 111.217 -175.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -57.73 -51.56 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.717 -0.674 . . . . 2.57 111.098 175.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 25.8 m 60.79 176.28 0.1 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.477 0.656 . . . . 3.48 111.856 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.542 -0.742 . . . . 6.78 109.767 177.511 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.227 -0.349 . . . . 6.58 112.227 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' 2110 ' ' THR . 6.2 m -78.53 149.17 33.14 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.076 -0.342 . . . . 4.27 110.076 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -80.25 20.75 0.65 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.299 0.571 . . . . 6.67 110.976 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.511 ' CG ' ' HG ' ' A' 2136 ' ' LEU . 56.0 mtt -67.22 -24.18 65.8 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.552 -0.749 . . . . 3.75 110.881 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -84.97 -1.57 56.9 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.101 -0.954 . . . . 9.54 111.162 -174.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 10.8 mp -93.27 24.43 3.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.223 -0.444 . . . . 6.31 111.424 -176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.4 p30 -48.68 140.38 8.43 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.14 0.495 . . . . 4.71 110.987 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 108.0 -6.22 34.76 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.561 -1.016 . . . . 3.43 110.561 -171.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.546 ' CD1' ' HG3' ' A' 2059 ' ' GLN . 2.9 pp -72.15 148.56 45.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.666 -0.767 . . . . 3.31 110.242 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.425 ' O ' HD12 ' A' 2054 ' ' LEU . 7.1 m -79.43 145.46 63.81 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.349 -0.982 . . . . 2.08 108.349 169.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.446 ' O ' ' HG3' ' A' 2060 ' ' GLN . 97.6 Cg_exo -41.23 -46.49 5.48 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.248 2.632 . . . . 1.78 114.403 -174.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.57 -18.4 61.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.027 0.38 . . . . 2.4 112.027 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -57.18 -53.7 55.07 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.046 0.45 . . . . 2.4 110.915 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.666 ' O ' HD13 ' A' 2063 ' ' LEU . 6.5 mt-30 -68.37 -42.06 79.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.051 -0.522 . . . . 2.83 110.925 175.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' 2056 ' ' PRO . 78.1 mt-30 -54.53 -41.05 69.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.507 0.558 . . . . 1.38 112.507 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -67.54 -40.66 85.01 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.429 -0.509 . . . . 1.97 110.887 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 94.3 m -57.18 -58.57 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.83 110.746 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' 2059 ' ' GLN . 6.3 mp -61.51 -35.4 77.6 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.077 -0.965 . . . . 0.92 112.099 -177.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.36 -27.58 68.67 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.994 0.426 . . . . 0.37 110.807 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 31.6 m -85.55 -32.82 21.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.902 -0.59 . . . . 0.42 109.411 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.51 -63.03 1.45 Allowed 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.46 -0.791 . . . . 0.37 110.534 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' 2063 ' ' LEU . 6.1 p -54.89 -38.54 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.933 -0.576 . . . . 0.64 111.216 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.409 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -59.35 -52.1 67.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.29 110.832 175.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.71 -27.51 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 0.29 110.876 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.28 -55.31 29.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.018 -0.537 . . . . 0.34 110.015 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.538 ' CG2' HD12 ' A' 2083 ' ' ILE . 5.5 t -70.54 -28.35 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.38 110.304 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' 2078 ' ' HIS . . . -67.99 -15.01 63.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.54 110.569 174.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 55.1 m -90.25 -36.17 14.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.131 -0.486 . . . . 0.6 111.178 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -82.05 -39.19 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.074 0.464 . . . . 0.78 110.464 -176.316 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.475 HD21 HD13 ' A' 2094 ' ' ILE . 56.6 mt -90.64 143.38 26.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.734 -0.667 . . . . 1.24 111.463 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -70.33 -20.1 76.51 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.557 -0.747 . . . . 1.3 114.09 -173.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 22.0 p80 -66.28 -30.25 70.63 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.599 0.7 . . . . 2.09 110.701 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' 2072 ' ' ALA . 6.7 m-70 54.09 -158.38 0.18 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.509 -0.768 . . . . 5.96 111.458 -178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 4.8 m 68.49 101.32 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.186 0 C-N-CA 123.082 0.553 . . . . 1.52 111.713 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.12 -15.01 35.61 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.621 2.214 . . . . 0.7 110.699 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -69.73 -39.03 77.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.332 -1.304 . . . . 2.96 110.698 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.8 m -82.22 0.15 42.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.075 -0.966 . . . . 1.7 110.988 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.538 HD12 ' CG2' ' A' 2071 ' ' THR . 8.1 mm -80.56 102.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.746 -0.661 . . . . 0.76 110.261 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.0 m -84.5 129.83 55.96 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.919 0.39 . . . . 0.42 110.006 177.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.467 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.9 Cg_endo -65.78 -30.9 49.48 Favored 'Trans proline' 0 N--CA 1.472 0.241 0 C-N-CA 123.724 2.949 . . . . 0.36 113.758 -171.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.1 -9.92 55.81 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.95 0.352 . . . . 0.47 111.95 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.5 m -83.22 152.92 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.367 0.604 . . . . 0.39 110.781 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -89.19 140.21 29.7 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.028 -0.987 . . . . 0.32 109.72 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.437 ' HB3' HG13 ' A' 2094 ' ' ILE . 16.1 m-85 -57.2 -24.43 54.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.48 111.869 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.04 -65.1 0.61 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.12 0.486 . . . . 2.91 110.28 168.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -27.31 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.008 -0.996 . . . . 1.88 112.893 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.7 OUTLIER -75.76 -22.55 56.35 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.591 -0.444 . . . . 0.73 111.833 178.342 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.92 -0.47 9.14 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.213 -0.994 . . . . 0.27 113.151 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.475 HD13 HD21 ' A' 2075 ' ' LEU . 28.1 mm -68.62 124.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.158 0.504 . . . . 0.28 112.126 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2095 ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' 2099 ' ' ALA . 16.6 m-20 -103.2 -165.75 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.064 -1.087 . . . . 1.07 108.064 170.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -31.78 62.88 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.58 0.705 . . . . 0.85 109.502 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' 2100 ' ' LEU . 19.9 mt -60.86 -50.67 72.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.39 -1.277 . . . . 1.65 110.453 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.4 p -86.16 -10.44 54.77 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.243 -0.889 . . . . 0.27 111.968 -178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.91 -38.71 92.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.29 109.966 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -76.67 -37.19 56.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.284 -0.416 . . . . 0.4 110.61 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.8 mm-40 -63.76 -42.23 97.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.317 . . . . 0.72 111.641 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.52 HD11 ' HB ' ' A' 2071 ' ' THR . 1.1 tt -60.19 -53.64 55.29 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.876 -0.416 . . . . 0.65 109.876 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.546 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 39.2 ttp-105 -54.46 -41.42 69.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.751 -0.659 . . . . 2.43 110.865 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.4 m-20 -50.6 -49.02 57.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.48 110.935 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.3 m -64.47 -42.22 96.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.743 -0.662 . . . . 0.51 110.593 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.8 -40.34 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 1.13 111.178 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 7.0 m -72.37 -28.56 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.599 . . . . 0.81 109.966 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -74.49 -24.34 59.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.571 -0.74 . . . . 2.81 110.657 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.43 -51.74 68.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.214 0.531 . . . . 2.6 111.041 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.673 HG21 HD11 ' A' 2136 ' ' LEU . 15.0 p -105.83 -14.32 15.26 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.464 -0.789 . . . . 1.03 112.758 -169.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 76.94 -7.61 34.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.53 -0.843 . . . . 1.05 112.813 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' 2112 ' ' LEU . 2.9 pp -78.36 -171.77 2.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.192 -0.299 . . . . 1.45 110.192 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -102.15 141.48 34.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 120.794 0.331 . . . . 1.18 110.208 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.9 tp -137.55 132.57 17.65 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.897 -0.592 . . . . 2.95 109.404 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' 2118 ' ' LEU . 31.4 Cg_endo -63.94 141.88 79.42 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.13 2.553 . . . . 1.1 112.453 -176.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.546 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 26.0 Cg_exo -60.15 -21.29 65.42 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.931 2.421 . . . . 0.75 111.753 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.1 p -84.02 2.65 38.05 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.323 -0.853 . . . . 0.86 111.212 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -41.18 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.439 -0.8 . . . . 0.7 112.664 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' 2099 ' ' ALA . 31.2 mm -75.2 -18.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.394 0.616 . . . . 0.5 110.385 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.39 -39.73 74.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.573 -0.739 . . . . 3.49 110.06 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -43.02 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.46 -0.791 . . . . 2.0 111.912 -173.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -123.4 65.24 30.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.71 111.401 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.41 ' HG3' ' C8 ' ' A' 2201 ' ' 66S . 70.1 Cg_endo -81.6 104.41 1.46 Allowed 'Trans proline' 0 N--CA 1.444 -1.387 0 CA-C-N 120.451 1.197 . . . . 0.43 110.825 176.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.13 137.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 114.625 -1.17 . . . . 0.5 108.606 174.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' 2085 ' ' PRO . 31.3 Cg_exo -59.22 -54.76 2.34 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.835 1.69 . . . . 0.25 112.307 -177.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.588 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.4 t60 -69.84 -31.15 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.8 111.474 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -71.83 -43.91 64.78 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.105 -0.238 . . . . 0.34 110.966 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.56 -38.92 72.59 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.29 . . . . 0.64 110.433 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' 2126 ' ' HIS . 94.5 m -49.07 -53.23 21.38 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.91 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -64.05 -35.56 81.12 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.214 -0.903 . . . . 2.22 111.39 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.46 ' O ' ' HG2' ' A' 2135 ' ' ARG . 26.6 t-80 -67.47 -52.95 33.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.908 0.385 . . . . 0.59 110.95 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' 2136 ' ' LEU . 3.9 mm? -63.99 -28.8 70.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.038 -0.528 . . . . 0.48 110.339 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.74 -42.49 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.67 109.885 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 89.5 m -61.21 -33.98 74.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.74 110.973 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' 2139 ' ' SER . 17.6 mmm180 -68.4 -17.31 64.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 3.18 110.795 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.673 HD11 HG21 ' A' 2110 ' ' THR . 8.8 mp -101.51 -39.37 7.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.839 -0.618 . . . . 2.37 111.518 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 40.1 p -90.95 -41.95 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.161 0.505 . . . . 1.41 111.475 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.87 -34.06 26.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.919 -0.582 . . . . 2.57 110.738 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2139 ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' 2135 ' ' ARG . 27.5 t -105.58 112.35 25.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.886 0.374 . . . . 3.48 110.488 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 47.9 t-80 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.579 -0.724 . . . . 6.78 110.007 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.41 ' C8 ' ' HG3' ' A' 2123 ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.835 -0.506 . . . . 6.58 111.835 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.643 ' HB2' ' O ' ' A' 2110 ' ' THR . 33.2 t -112.48 175.38 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 4.27 110.132 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 30.2 m80 -111.03 21.29 16.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.349 0.595 . . . . 6.67 109.412 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.415 ' HE2' ' HA ' ' A' 2136 ' ' LEU . 32.8 mtt -71.71 -16.44 62.23 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.333 -0.849 . . . . 3.75 111.773 -175.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -67.96 -20.3 65.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.588 0.709 . . . . 9.54 110.186 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' 2054 ' ' LEU . 7.9 mp -87.8 22.61 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.509 -0.769 . . . . 6.31 110.414 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -54.32 148.51 11.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.319 0.581 . . . . 4.71 110.805 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.61 -11.76 30.31 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.069 -0.812 . . . . 3.43 111.069 -173.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' 2051 ' ' LEU . 81.9 mt -63.57 135.31 56.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.874 0.369 . . . . 3.31 110.474 175.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 4.1 p -69.67 155.83 92.8 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.924 -0.58 . . . . 2.08 109.565 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' A' 2060 ' ' GLN . 90.0 Cg_exo -42.93 -48.1 7.8 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.123 2.549 . . . . 1.78 113.519 -176.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -66.04 -28.87 69.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.527 0.566 . . . . 2.4 112.527 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 11.5 mm-40 -71.63 -44.31 64.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.216 0.531 . . . . 2.4 110.62 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.644 ' O ' HD13 ' A' 2063 ' ' LEU . 20.0 mm-40 -68.46 -50.59 51.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.943 -0.571 . . . . 2.83 110.503 174.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' 2056 ' ' PRO . 64.5 mt-30 -54.2 -39.0 66.27 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 113.055 0.761 . . . . 1.38 113.055 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' 2062 ' ' THR . 9.0 pt20 -66.17 -43.64 86.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.805 -0.758 . . . . 1.97 110.233 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.435 ' N ' ' HG3' ' A' 2061 ' ' GLN . 91.2 m -57.4 -60.19 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.21 0.528 . . . . 0.83 110.722 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' 2059 ' ' GLN . 5.4 mp -58.38 -36.16 73.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.309 -0.86 . . . . 0.92 112.063 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.1 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.37 110.875 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.6 m -79.89 -29.88 40.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.42 109.06 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.54 -64.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.948 -1.024 . . . . 0.37 110.638 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' 2063 ' ' LEU . 7.5 p -54.29 -40.49 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.953 -0.567 . . . . 0.64 111.541 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.54 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -59.36 -51.56 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.161 -0.472 . . . . 0.29 111.042 175.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.474 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.29 -30.48 69.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.811 0.339 . . . . 0.29 110.542 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.706 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.05 -63.01 1.44 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.03 -0.532 . . . . 0.34 109.643 177.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.442 ' HB ' HD11 ' A' 2102 ' ' LEU . 10.6 t -60.04 -35.38 74.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.38 111.18 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' 2078 ' ' HIS . . . -70.37 -27.38 64.29 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.758 -0.656 . . . . 0.54 111.536 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.8 m -90.14 -36.1 15.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.119 0.414 . . . . 0.6 112.119 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -60.21 -33.93 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.827 -0.805 . . . . 0.78 108.827 178.459 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.453 HD23 HG21 ' A' 2098 ' ' THR . 58.7 mt -89.57 -44.16 10.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.708 -1.133 . . . . 1.24 110.882 174.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 69.63 77.86 0.4 Allowed Glycine 0 CA--C 1.511 -0.164 0 N-CA-C 111.206 -0.758 . . . . 1.3 111.206 -176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.52 -3.28 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.242 0.83 . . . . 2.09 113.242 -169.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.483 ' O ' ' HB1' ' A' 2072 ' ' ALA . 48.2 t60 -157.11 141.51 16.54 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.866 -0.734 . . . . 5.96 112.134 -168.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 26.4 m -69.65 130.89 90.02 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 1.52 109.529 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.474 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 14.8 Cg_exo -67.76 -26.03 39.17 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 122.718 2.279 . . . . 0.7 110.956 -173.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.94 -19.37 65.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.341 -1.299 . . . . 2.96 110.569 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.1 t -110.46 14.7 22.49 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.474 -0.785 . . . . 1.7 111.168 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.54 HG13 ' HB1' ' A' 2068 ' ' ALA . 4.3 mm -79.48 118.9 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 O-C-N 122.043 -0.411 . . . . 0.76 110.116 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' 2125 ' ' PRO . 22.5 m -81.3 129.23 67.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 121.096 0.474 . . . . 0.42 111.029 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 74.2 Cg_endo -69.96 -33.07 16.54 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.587 2.858 . . . . 0.36 114.359 -174.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.17 -13.47 58.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.006 0.372 . . . . 0.47 112.006 -174.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.5 m -80.48 154.74 27.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.253 0.549 . . . . 0.39 110.884 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.477 ' O ' HD22 ' A' 2092 ' ' LEU . . . -88.81 141.71 28.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.58 -0.736 . . . . 0.32 109.88 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.485 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.4 m-85 -55.65 -28.72 56.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.739 0.304 . . . . 0.48 110.835 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -51.42 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.459 -0.791 . . . . 2.91 110.069 171.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.14 -35.08 66.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.459 -1.246 . . . . 1.88 111.78 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' 2088 ' ' ALA . 0.5 OUTLIER -67.62 -21.21 65.4 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 121.1 -0.24 . . . . 0.73 111.4 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.17 10.82 5.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.27 112.563 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 35.3 mm -81.17 126.23 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.809 0.337 . . . . 0.28 111.27 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.18 -169.32 1.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.188 -1.041 . . . . 1.07 108.188 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -24.45 62.16 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.938 -0.705 . . . . 0.85 110.025 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' 2100 ' ' LEU . 46.5 mt -66.11 -54.92 19.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.019 -0.991 . . . . 1.65 110.477 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.453 HG21 HD23 ' A' 2075 ' ' LEU . 2.7 p -82.22 -14.09 56.07 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.036 -0.983 . . . . 0.27 112.287 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' 2119 ' ' ILE . . . -56.96 -40.99 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.885 0.374 . . . . 0.29 110.515 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.4 pp -75.33 -35.98 61.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.747 -0.381 . . . . 0.4 110.715 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' 2104 ' ' ASN . 6.7 mm-40 -63.9 -40.28 96.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.72 110.964 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.442 HD11 ' HB ' ' A' 2071 ' ' THR . 0.8 OUTLIER -61.2 -53.26 59.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.65 110.402 175.044 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 46.8 ttp85 -52.93 -39.92 63.23 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.038 -0.528 . . . . 2.43 110.748 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' 2101 ' ' GLU . 75.4 m-20 -51.98 -53.41 41.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.48 110.945 175.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.9 m -61.94 -45.21 94.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.363 . . . . 0.51 110.972 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.9 mt -60.6 -38.98 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 1.13 111.448 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 62.7 m -67.91 -32.96 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.0 -0.545 . . . . 0.81 111.065 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 7.5 m170 -68.63 -19.38 64.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 2.81 111.771 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -72.32 -30.87 65.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.008 0.433 . . . . 2.6 111.181 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.643 ' O ' ' HB2' ' A' 2047 ' ' SER . 25.6 p -111.93 -25.72 9.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.519 0.563 . . . . 1.03 112.519 -176.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 75.71 5.81 79.89 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.73 -0.748 . . . . 1.05 111.392 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.464 ' HG ' ' HB ' ' A' 2110 ' ' THR . 51.9 mt -78.78 -167.94 1.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.823 -0.689 . . . . 1.45 110.709 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 39.1 t70 -122.81 96.51 5.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.713 0.768 . . . . 1.18 110.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.44 133.26 33.33 Favored Pre-proline 0 C--N 1.31 -1.118 0 CA-C-N 114.385 -1.28 . . . . 2.95 109.777 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.3 Cg_endo -61.37 144.28 98.28 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 C-N-CA 123.107 2.538 . . . . 1.1 111.877 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.403 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 14.4 Cg_endo -59.06 -9.38 7.87 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.899 2.4 . . . . 0.75 112.383 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.8 p -93.57 3.43 55.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.025 -0.534 . . . . 0.86 110.803 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -39.49 -69.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.871 0.869 . . . . 0.7 112.249 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' 2099 ' ' ALA . 41.8 mm -73.92 -20.26 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.444 0.64 . . . . 0.5 110.457 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -31.57 65.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.599 -0.728 . . . . 3.49 110.63 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.8 -39.58 10.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.753 -0.658 . . . . 2.0 112.11 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -130.66 65.56 76.6 Favored Pre-proline 0 N--CA 1.465 0.304 0 C-N-CA 120.578 -0.449 . . . . 0.71 111.513 -174.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -81.07 104.5 1.55 Allowed 'Trans proline' 0 N--CA 1.442 -1.504 0 CA-C-N 120.45 1.196 . . . . 0.43 110.584 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.43 138.31 0.41 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.761 -1.109 . . . . 0.5 108.858 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 40.7 Cg_exo -57.31 -58.27 0.95 Allowed 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 121.959 1.773 . . . . 0.25 112.542 -177.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' A' 2129 ' ' THR . 53.9 t-80 -70.4 -34.54 72.67 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.793 0.294 . . . . 0.8 111.793 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.52 89.72 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.972 -0.291 . . . . 0.34 111.251 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.419 HD13 HD11 ' A' 2106 ' ' LEU . 37.6 mt -57.58 -39.75 77.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.576 -0.284 . . . . 0.64 110.459 171.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.645 ' HB ' ' O ' ' A' 2126 ' ' HIS . 93.2 m -52.45 -42.7 64.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.953 -0.567 . . . . 0.33 110.461 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' 2126 ' ' HIS . 55.6 mt-30 -64.14 -44.65 91.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.343 -0.844 . . . . 2.22 110.487 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 21.0 t60 -61.56 -52.95 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.59 110.902 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.4 mm? -66.03 -30.31 70.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.726 -0.389 . . . . 0.48 110.163 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -61.1 -35.76 77.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.741 0.305 . . . . 0.67 110.603 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.593 ' O ' ' HG3' ' A' 2138 ' ' GLN . 12.5 m -69.73 -41.99 74.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.74 110.045 175.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' 2138 ' ' GLN . 6.5 mmt180 -59.99 -43.53 95.09 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.888 -0.597 . . . . 3.18 111.482 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.415 ' HA ' ' HE2' ' A' 2049 ' ' MET . 2.0 mm? -65.05 -44.91 87.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.521 -0.308 . . . . 2.37 111.607 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 17.9 p -73.7 -8.76 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.039 0.447 . . . . 1.41 111.597 -176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2138 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 2134 ' ' THR . 66.2 mt-30 -65.53 -22.9 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.784 -0.644 . . . . 2.57 111.387 176.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 41.9 t -116.6 132.26 56.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.978 0.418 . . . . 3.48 110.469 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.704 -0.665 . . . . 6.78 109.28 177.305 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.482 ' O26' ' HG ' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.778 -0.529 . . . . 6.58 111.778 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' 2049 ' ' MET . 1.1 m -95.87 131.89 41.72 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 110.049 -0.352 . . . . 4.27 110.049 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 25.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.809 0.814 . . . . 6.67 110.377 171.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.559 ' H ' ' C ' ' A' 2047 ' ' SER . 27.8 mtt -81.5 16.27 1.76 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.095 -0.957 . . . . 3.75 112.044 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -85.41 -12.04 52.99 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.279 -0.568 . . . . 9.54 109.632 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 97.7 mt -84.59 16.12 3.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.391 -0.822 . . . . 6.31 110.214 175.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -66.74 134.25 51.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.721 -0.672 . . . . 4.71 109.912 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.02 -5.25 28.86 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.311 -0.947 . . . . 3.43 111.997 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.514 ' HB2' ' HG3' ' A' 2059 ' ' GLN . 36.1 mt -73.54 171.74 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.97 -0.382 . . . . 3.31 109.97 171.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 21.7 m -75.26 160.44 80.03 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.24 -0.652 . . . . 2.08 109.24 174.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.583 ' O ' ' HG3' ' A' 2060 ' ' GLN . 88.7 Cg_exo -44.66 -56.13 2.83 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.978 2.452 . . . . 1.78 113.448 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.78 -37.18 81.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.827 0.346 . . . . 2.4 111.45 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -61.55 -32.54 72.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 2.4 110.787 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.713 ' O ' ' HG ' ' A' 2063 ' ' LEU . 75.3 mt-30 -80.84 -44.95 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.26 -0.427 . . . . 2.83 110.718 173.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' 2056 ' ' PRO . 54.0 mt-30 -50.43 -40.64 50.95 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 112.936 0.717 . . . . 1.38 112.936 -178.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.38 -45.16 88.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.23 0.456 . . . . 1.97 112.23 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2062 ' ' THR . . . . . 0.424 HG22 ' O ' ' A' 2059 ' ' GLN . 9.5 t -71.52 -16.74 62.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.243 0.544 . . . . 0.83 110.91 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 2059 ' ' GLN . 14.9 mt -88.51 -38.18 15.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.203 -0.453 . . . . 0.92 109.957 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.11 69.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.512 -0.767 . . . . 0.37 109.869 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 63.7 m -74.21 -30.28 62.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.423 -0.808 . . . . 0.42 109.713 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 17.6 tp -70.85 -63.74 1.04 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.773 -0.649 . . . . 0.37 110.583 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' 2063 ' ' LEU . 5.7 p -53.92 -40.08 43.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.003 -0.544 . . . . 0.64 111.959 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.0 -52.94 61.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.29 110.603 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.78 71.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.29 110.532 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' 2074 ' ' VAL . . . -61.93 -59.72 4.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.575 -0.739 . . . . 0.34 110.506 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.536 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -69.12 -27.81 65.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.38 110.565 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.545 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -64.57 -36.1 83.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.698 -0.683 . . . . 0.54 110.412 174.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -68.86 -34.0 74.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.226 0.536 . . . . 0.6 110.493 177.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.808 HG12 HG22 ' A' 2098 ' ' THR . 2.2 t -72.5 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.753 -0.658 . . . . 0.78 111.008 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.572 HD11 HD13 ' A' 2094 ' ' ILE . 8.1 mp -69.91 140.09 53.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.819 -0.628 . . . . 1.24 111.493 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -72.79 80.8 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 116.033 -0.53 . . . . 1.3 113.198 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 31.8 p80 -175.28 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.154 -0.684 . . . . 2.09 109.154 176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.545 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 25.8 t-80 45.41 82.42 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.314 -0.857 . . . . 5.96 112.762 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.41 97.51 5.12 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.191 -0.913 . . . . 1.52 109.699 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.514 ' HA ' HD12 ' A' 2083 ' ' ILE . 2.7 Cg_exo -74.37 -18.48 20.41 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.612 2.208 . . . . 0.7 110.295 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.61 -35.69 76.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.075 -1.421 . . . . 2.96 111.134 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -99.53 6.29 45.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.24 -173.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.536 HD13 ' CG2' ' A' 2071 ' ' THR . 37.1 mt -87.12 96.97 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.76 110.362 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 22.1 m -81.14 132.27 56.93 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.479 -0.782 . . . . 0.42 110.631 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 60.6 Cg_endo -68.86 -25.94 32.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.411 2.74 . . . . 0.36 112.934 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.49 -24.18 60.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 0.47 111.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.0 m -84.42 156.48 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.39 110.334 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -96.58 147.26 24.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.116 -0.493 . . . . 0.32 110.375 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.43 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 11.7 m-85 -53.25 -33.17 51.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.921 0.391 . . . . 0.48 110.905 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.06 -44.4 67.44 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.364 -0.834 . . . . 2.91 110.684 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.64 -30.86 36.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.636 -1.165 . . . . 1.88 111.921 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -22.74 63.08 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.795 0.294 . . . . 0.73 111.795 -178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 126.48 18.39 2.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 119.901 -1.143 . . . . 0.27 113.0 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.572 HD13 HD11 ' A' 2075 ' ' LEU . 29.2 mm -89.5 130.62 38.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.025 0.44 . . . . 0.28 111.413 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.89 -165.27 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.125 -1.065 . . . . 1.07 108.125 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -25.65 62.87 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.6 -0.84 . . . . 0.85 110.01 176.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.8 mt -65.15 -60.59 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.959 -1.019 . . . . 1.65 110.43 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.808 HG22 HG12 ' A' 2074 ' ' VAL . 1.1 p -73.78 -17.82 61.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.13 -0.941 . . . . 0.27 112.083 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.83 -42.75 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.954 0.407 . . . . 0.29 110.769 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -78.07 -35.4 49.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.59 -0.444 . . . . 0.4 110.203 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.3 mm-40 -62.86 -40.67 98.18 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.231 0.539 . . . . 0.72 110.891 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.32 -53.31 50.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.741 -0.663 . . . . 0.65 109.693 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 40.4 ttp-105 -54.3 -41.59 69.13 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.595 -0.73 . . . . 2.43 110.811 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.5 m-20 -50.14 -50.38 48.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.992 0.425 . . . . 0.48 110.809 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.3 m -66.21 -45.44 80.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.51 110.851 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.67 -42.38 88.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 1.13 111.208 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 28.1 m -62.36 -44.48 96.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.101 0.477 . . . . 0.81 110.563 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.07 -26.46 65.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.828 -0.624 . . . . 2.81 110.987 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -93.36 -4.6 51.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.238 -0.437 . . . . 2.6 111.598 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.405 HG21 HD12 ' A' 2132 ' ' LEU . 21.0 p -110.63 -27.56 8.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.583 -0.281 . . . . 1.03 111.24 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.21 -14.12 46.53 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 121.065 -0.588 . . . . 1.05 112.847 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' 2112 ' ' LEU . 3.4 pp -103.57 -170.14 1.74 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.92 0.391 . . . . 1.45 110.763 -176.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -118.33 117.82 30.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.075 -0.511 . . . . 1.18 110.584 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.64 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -119.86 177.27 1.44 Allowed Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.578 -0.737 . . . . 2.95 109.364 179.784 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.64 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.8 Cg_endo -88.33 153.29 6.67 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.296 1.997 . . . . 1.1 112.934 -170.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.45 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 12.6 Cg_exo -68.25 -15.59 42.78 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.892 2.395 . . . . 0.75 111.431 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -83.5 -0.78 51.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.141 -0.936 . . . . 0.86 110.864 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -34.46 -67.03 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.972 -1.013 . . . . 0.7 112.83 176.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' 2099 ' ' ALA . 34.1 mm -79.31 -20.41 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.102 0.477 . . . . 0.5 110.803 -175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -67.02 -47.84 70.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.336 0.589 . . . . 3.49 110.042 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -81.11 -42.45 20.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.95 . . . . 2.0 112.167 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -127.06 63.09 55.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 C-N-CA 120.369 -0.532 . . . . 0.71 111.836 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -81.82 104.37 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 CA-C-N 120.39 1.175 . . . . 0.43 111.299 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.26 148.31 0.73 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 114.971 -1.013 . . . . 0.5 108.318 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.61 -54.51 0.74 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 121.711 1.608 . . . . 0.25 111.212 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.626 ' O ' ' HB ' ' A' 2129 ' ' THR . 76.2 t60 -67.42 -31.35 71.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.8 111.907 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -74.69 -41.16 60.74 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.816 -0.354 . . . . 0.34 111.567 -175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.92 -35.96 78.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.637 -0.505 . . . . 0.64 109.637 172.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' 2126 ' ' HIS . 95.5 m -53.11 -37.25 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.146 -0.933 . . . . 0.33 110.807 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' 2133 ' ' HIS . 16.4 mt-30 -73.89 -36.94 64.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.445 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -70.56 -43.35 69.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.59 110.812 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.405 HD12 HG21 ' A' 2110 ' ' THR . 2.8 mm? -74.28 -20.08 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.469 -0.493 . . . . 0.48 110.41 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2133 ' ' HIS . . . . . 0.47 ' NE2' ' HA ' ' A' 2056 ' ' PRO . 14.2 t-80 -62.18 -38.47 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.5 -0.555 . . . . 0.67 109.5 172.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 32.2 m -63.88 -38.84 92.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.612 -0.722 . . . . 0.74 110.726 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -62.99 -37.0 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.041 0.448 . . . . 3.18 110.884 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.405 ' HG ' ' HG2' ' A' 2049 ' ' MET . 9.3 mp -73.69 -41.34 62.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 2.37 111.314 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 19.1 p -75.09 -22.72 58.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.175 0.512 . . . . 1.41 111.063 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -70.73 -24.85 62.71 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.721 -0.672 . . . . 2.57 110.606 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 23.1 t -90.54 119.25 30.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.932 -0.576 . . . . 3.48 109.771 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.738 -0.649 . . . . 6.78 110.393 -179.48 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.738 -0.545 . . . . 6.58 111.738 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 17.4 m -81.17 115.85 20.79 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.16 0.505 . . . . 4.27 111.331 -175.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 63.9 m170 -115.82 20.52 14.49 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.802 -0.814 . . . . 6.67 108.802 172.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.52 ' HG3' ' HG2' ' A' 2050 ' ' ARG . 9.9 ptt? -46.94 -41.05 15.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.633 -1.167 . . . . 3.75 113.991 -172.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2050 ' ' ARG . . . . . 0.52 ' HG2' ' HG3' ' A' 2049 ' ' MET . 24.2 mmt180 -107.08 7.43 29.69 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.796 0.331 . . . . 9.54 111.082 -174.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' 2136 ' ' LEU . 10.9 mp -89.77 -10.67 44.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.064 0.459 . . . . 6.31 110.531 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 24.9 t30 -76.89 117.07 18.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.828 -0.624 . . . . 4.71 109.856 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 74.29 -31.19 0.97 Allowed Glycine 0 CA--C 1.523 0.565 0 CA-C-N 116.147 -0.479 . . . . 3.43 113.271 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.434 ' HG ' ' CB ' ' A' 2058 ' ' GLN . 0.5 OUTLIER -92.09 125.47 36.79 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.229 0.538 . . . . 3.31 112.239 -177.809 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' A' 2056 ' ' PRO . 16.8 m -72.06 164.24 60.56 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.77 -0.826 . . . . 2.08 108.77 169.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' 2055 ' ' SER . 68.7 Cg_exo -41.9 -50.69 4.96 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.001 2.468 . . . . 1.78 113.832 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -73.19 -31.62 64.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.244 0.461 . . . . 2.4 112.244 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.434 ' CB ' ' HG ' ' A' 2054 ' ' LEU . 15.2 mm-40 -63.06 -32.58 73.98 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.392 0.615 . . . . 2.4 109.823 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.647 ' O ' HD13 ' A' 2063 ' ' LEU . 69.7 mt-30 -59.14 -51.14 71.29 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.475 -0.784 . . . . 2.83 110.397 173.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -51.43 -51.36 55.49 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 112.771 0.656 . . . . 1.38 112.771 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -60.43 -39.02 85.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.196 -0.602 . . . . 1.97 110.672 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 72.6 m -59.25 -59.33 5.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.83 110.601 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' 2059 ' ' GLN . 6.7 mp -55.22 -38.42 68.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.92 111.881 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.58 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.37 111.016 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.3 m -85.92 -34.48 20.91 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.297 -0.631 . . . . 0.42 109.297 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.82 -62.24 2.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.37 110.465 174.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' 2063 ' ' LEU . 10.2 p -58.05 -38.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.623 -0.717 . . . . 0.64 111.601 -178.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.25 70.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.098 -0.334 . . . . 0.29 110.098 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.683 0.278 . . . . 0.29 110.732 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' 2074 ' ' VAL . . . -65.21 -50.87 64.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.403 -0.362 . . . . 0.34 111.173 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.643 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -76.16 -18.38 59.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.455 0.645 . . . . 0.38 110.274 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' A' 2078 ' ' HIS . . . -73.73 -39.74 64.07 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.486 -0.779 . . . . 0.54 110.357 170.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.6 m -65.22 -35.85 82.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.748 0.309 . . . . 0.6 111.64 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' 2070 ' ' ALA . 0.1 OUTLIER -73.72 -60.77 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.78 111.693 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.518 HD11 HD13 ' A' 2094 ' ' ILE . 9.7 mp -60.94 128.08 34.73 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 1.24 112.008 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -52.17 -30.89 32.71 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 115.238 0.855 . . . . 1.3 115.238 -172.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 29.6 p80 -65.6 -30.8 71.57 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 117.763 0.781 . . . . 2.09 111.21 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' 2072 ' ' ALA . 4.4 m-70 41.75 79.33 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.746 0.818 . . . . 5.96 112.702 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.98 99.68 4.64 Favored Pre-proline 0 C--N 1.327 -0.387 0 C-N-CA 121.203 -0.199 . . . . 1.52 110.54 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.508 ' HA ' ' CD1' ' A' 2083 ' ' ILE . 10.9 Cg_exo -71.87 -19.65 26.88 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.804 2.336 . . . . 0.7 111.973 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.39 -37.31 85.24 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.193 -0.912 . . . . 2.96 112.087 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -100.05 18.77 17.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.7 111.118 -173.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.643 HD13 ' CG2' ' A' 2071 ' ' THR . 20.0 mt -96.41 90.0 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 121.547 0.689 . . . . 0.76 110.585 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.9 m -75.65 127.81 85.07 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.012 -0.995 . . . . 0.42 110.576 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.436 ' HA ' ' HG2' ' A' 2125 ' ' PRO . 38.3 Cg_endo -61.54 -30.8 86.8 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.887 3.058 . . . . 0.36 113.404 -174.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -72.91 -16.75 61.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.796 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.454 ' HB ' HD21 ' A' 2092 ' ' LEU . 3.2 m -91.05 156.48 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.39 111.136 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -93.41 141.71 28.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.411 -0.813 . . . . 0.32 109.937 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.569 ' HB3' ' CG1' ' A' 2094 ' ' ILE . 8.6 m-30 -56.06 -26.76 50.6 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.48 111.63 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -52.69 -58.51 6.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.472 0.483 . . . . 2.91 109.961 172.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' 2087 ' ' THR . 21.0 t70 -56.59 -41.16 76.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.686 -0.688 . . . . 1.88 111.724 174.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' 2087 ' ' THR . 0.9 OUTLIER -68.72 -23.67 64.38 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.088 0.403 . . . . 0.73 112.088 -177.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 131.0 -2.74 5.57 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 119.624 -1.274 . . . . 0.27 114.659 174.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.602 HD11 HD12 ' A' 2102 ' ' LEU . 15.7 mm -60.22 121.86 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 117.669 0.734 . . . . 0.28 111.131 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -104.57 -163.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 1.07 109.584 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -69.43 -34.26 74.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.425 0.631 . . . . 0.85 110.413 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.634 ' O ' ' HG ' ' A' 2100 ' ' LEU . 50.3 mt -73.87 -60.08 2.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.066 -0.97 . . . . 1.65 110.864 -176.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' 2102 ' ' LEU . 1.5 p -67.28 -11.23 56.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.14 -0.937 . . . . 0.27 112.709 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.94 95.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.29 110.636 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -82.67 -37.29 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.446 -0.502 . . . . 0.4 110.55 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.433 ' HA ' HD22 ' A' 2104 ' ' ASN . 5.1 mm-40 -62.07 -40.55 96.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.958 0.408 . . . . 0.72 111.231 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.602 HD12 HD11 ' A' 2094 ' ' ILE . 1.8 tt -59.04 -55.11 39.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.336 -0.616 . . . . 0.65 109.336 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.417 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 35.7 ttp-105 -54.76 -42.09 71.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.924 -1.035 . . . . 2.43 110.858 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' 2101 ' ' GLU . 86.0 m-20 -51.63 -40.92 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.045 0.45 . . . . 0.48 110.943 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 23.0 m -72.8 -45.6 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.51 110.517 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -45.6 90.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.032 -0.531 . . . . 1.13 111.723 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.7 m -59.49 -40.42 86.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.263 0.554 . . . . 0.81 110.231 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.11 -28.22 63.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.537 -0.756 . . . . 2.81 111.142 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -88.86 -10.83 46.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 2.6 111.368 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2110 ' ' THR . . . . . 0.408 HG22 ' HE1' ' A' 2049 ' ' MET . 31.7 p -106.63 -39.98 5.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.999 -0.546 . . . . 1.03 110.852 178.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.75 60.26 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.84 -0.695 . . . . 1.05 112.779 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.0 pp -92.37 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.812 0.339 . . . . 1.45 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.78 119.16 34.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.23 0.538 . . . . 1.18 111.176 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.629 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -122.97 177.74 1.55 Allowed Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.208 -0.906 . . . . 2.95 109.229 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 51.7 Cg_endo -90.07 155.11 4.8 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.567 2.178 . . . . 1.1 112.802 -171.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.417 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 32.8 Cg_endo -65.72 -10.83 28.09 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.843 2.362 . . . . 0.75 111.961 176.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -92.94 2.56 56.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.855 -0.611 . . . . 0.86 110.724 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.5 tm? -36.36 -70.06 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.974 0.909 . . . . 0.7 113.002 177.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 37.5 mm -77.96 -20.95 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 121.388 0.613 . . . . 0.5 110.343 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.08 -34.72 78.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.465 -0.789 . . . . 3.49 110.196 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -94.69 -45.7 7.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.634 -0.712 . . . . 2.0 111.171 -176.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.25 63.94 13.39 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.798 -0.361 . . . . 0.71 111.715 -172.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2123 ' ' PRO . . . . . 0.497 ' HG3' ' C8 ' ' A' 2201 ' ' 66S . 60.9 Cg_endo -80.34 104.69 1.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 CA-C-N 120.466 1.202 . . . . 0.43 109.83 176.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.15 144.68 0.58 Allowed Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.891 -1.049 . . . . 0.5 109.005 -175.713 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.436 ' HG2' ' HA ' ' A' 2085 ' ' PRO . 17.7 Cg_exo -66.25 -60.36 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 121.515 1.477 . . . . 0.25 112.224 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.616 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.5 t60 -71.07 -33.24 70.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.8 111.589 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2127 ' ' ALA . . . . . 0.493 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.35 -39.85 85.8 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.165 -0.214 . . . . 0.34 111.368 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.456 HD12 HG21 ' A' 2067 ' ' VAL . 23.0 mt -62.13 -39.65 93.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.724 -0.472 . . . . 0.64 109.724 172.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' 2126 ' ' HIS . 92.8 m -52.23 -53.82 38.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.569 -0.741 . . . . 0.33 110.759 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -40.68 88.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.738 -0.665 . . . . 2.22 110.687 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 58.4 t60 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.927 0.394 . . . . 0.59 110.877 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.479 ' HA ' ' HG2' ' A' 2135 ' ' ARG . 3.5 mm? -70.15 -21.39 63.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.224 -0.444 . . . . 0.48 110.957 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -73.58 -35.27 65.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.683 -0.488 . . . . 0.67 109.683 174.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2134 ' ' THR . . . . . 0.533 ' HA ' ' OG1' ' A' 2137 ' ' THR . 46.3 m -68.07 -29.71 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.74 110.353 178.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' A' 2132 ' ' LEU . 28.3 mmm180 -54.76 -42.98 72.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.47 0.653 . . . . 3.18 110.79 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.488 ' HB3' HD11 ' A' 2051 ' ' LEU . 42.0 mt -85.21 -34.7 21.97 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.153 -0.93 . . . . 2.37 111.394 -174.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2137 ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' 2134 ' ' THR . 38.4 p -74.25 -17.14 60.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.051 -0.522 . . . . 1.41 110.531 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.51 -47.3 82.25 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.68 -0.691 . . . . 2.57 111.048 174.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 3.9 p -77.95 103.62 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.063 -0.517 . . . . 3.48 110.973 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 41.8 m80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.296 -0.859 . . . . 6.78 110.507 -178.543 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.497 ' C8 ' ' HG3' ' A' 2123 ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.88 -0.488 . . . . 6.58 111.88 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' 2049 ' ' MET . 15.9 m 58.8 73.08 0.49 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.473 0.654 . . . . 4.27 110.228 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.25 13.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.942 -1.026 . . . . 6.67 113.064 -173.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.497 ' HG3' ' HB3' ' A' 2136 ' ' LEU . 13.3 mmt -64.19 -64.63 0.83 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.731 0.776 . . . . 3.75 111.197 -172.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -75.18 -6.83 51.71 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.474 -1.239 . . . . 9.54 111.168 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2051 ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' 2051 ' ' LEU . 5.0 mp -102.75 -53.48 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.316 -0.402 . . . . 6.31 111.229 -174.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -94.02 115.83 28.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.073 0.397 . . . . 4.71 112.073 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 67.88 -32.18 0.23 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 116.595 1.398 . . . . 3.43 116.595 165.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' 2049 ' ' MET . 84.0 mt -97.1 140.47 31.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 118.626 1.213 . . . . 3.31 112.634 -174.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.486 ' OG ' ' HG2' ' A' 2058 ' ' GLN . 33.5 p -98.62 167.89 10.69 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 107.916 -1.142 . . . . 2.08 107.916 168.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.56 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 36.0 Cg_exo -39.43 -49.44 3.15 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.012 2.475 . . . . 1.78 114.126 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -68.08 -38.18 82.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 2.4 111.736 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' A' 2061 ' ' GLN . 78.4 mm-40 -71.55 -29.0 64.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.406 . . . . 2.4 111.574 -174.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.635 ' O ' HD13 ' A' 2063 ' ' LEU . 52.1 mt-30 -57.75 -42.6 84.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.346 -0.388 . . . . 2.83 111.428 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -54.61 -42.94 71.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.236 0.828 . . . . 1.38 113.236 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' 2058 ' ' GLN . 25.9 pt20 -61.3 -42.22 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.305 -0.558 . . . . 1.97 110.598 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 53.5 m -58.5 -59.39 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.978 -0.555 . . . . 0.83 110.701 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' 2067 ' ' VAL . 6.9 mp -55.0 -49.7 70.84 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.562 -0.745 . . . . 0.92 111.989 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.65 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.086 0.47 . . . . 0.37 111.711 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.6 m -90.73 -33.83 15.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.635 -0.711 . . . . 0.42 109.628 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.32 -58.43 8.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.599 -0.728 . . . . 0.37 110.027 174.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' 2063 ' ' LEU . 23.7 t -45.22 -53.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 122.201 1.0 . . . . 0.64 110.896 174.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2068 ' ' ALA . . . . . 0.482 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -58.26 -45.93 86.91 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.531 -1.668 . . . . 0.29 111.733 -177.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -69.81 -32.69 71.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.779 0.323 . . . . 0.29 110.907 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.18 -56.17 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.34 110.642 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.463 ' HB ' HD11 ' A' 2102 ' ' LEU . 5.7 t -64.76 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.687 . . . . 0.38 110.312 -178.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.986 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -73.45 -19.62 60.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.064 -0.971 . . . . 0.54 111.154 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.1 m -87.24 -39.39 15.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 0.6 111.255 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -70.2 -39.44 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.78 109.414 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 64.6 mt -91.52 175.36 6.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.018 -0.992 . . . . 1.24 110.51 174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -100.75 60.79 0.64 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.698 -0.763 . . . . 1.3 112.907 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 30.1 p80 -160.57 56.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.314 0.578 . . . . 2.09 109.8 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.986 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 13.1 t-160 -74.93 73.65 2.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.019 0.914 . . . . 5.96 112.339 -172.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' 2081 ' ' GLU . 19.1 m -137.12 95.28 11.96 Favored Pre-proline 0 N--CA 1.444 -0.775 0 CA-C-N 114.302 -1.317 . . . . 1.52 108.136 165.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 34.1 Cg_exo -61.97 -18.31 60.65 Favored 'Trans proline' 0 N--CA 1.471 0.189 0 C-N-CA 123.209 2.606 . . . . 0.7 112.232 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2081 ' ' GLU . . . . . 0.472 ' HB3' HG22 ' A' 2079 ' ' THR . 34.8 tt0 -61.56 -36.97 82.13 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.131 -0.941 . . . . 2.96 111.123 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 23.3 t -95.46 13.73 24.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 1.7 111.06 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.3 mm -86.91 105.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.704 -0.48 . . . . 0.76 109.704 174.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' 2125 ' ' PRO . 20.0 m -77.0 125.91 86.23 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 0.42 110.563 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.501 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.3 Cg_endo -66.87 -30.85 39.72 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 123.683 2.922 . . . . 0.36 113.797 -174.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.35 -9.07 58.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.024 0.379 . . . . 0.47 112.024 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.8 m -84.63 152.74 23.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.408 0.623 . . . . 0.39 111.064 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.414 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.18 139.26 30.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.326 -0.852 . . . . 0.32 109.777 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.416 ' HB3' HG13 ' A' 2094 ' ' ILE . 20.8 m-85 -53.72 -27.57 28.98 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.535 0.522 . . . . 0.48 111.612 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.12 -59.89 3.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.51 0.671 . . . . 2.91 110.468 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.84 -37.83 83.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.49 -1.232 . . . . 1.88 111.942 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' 2088 ' ' ALA . 1.1 mm? -66.9 -22.48 65.96 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.905 -0.318 . . . . 0.73 111.279 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.69 0.59 8.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.168 -1.015 . . . . 0.27 113.14 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' 2089 ' ' PHE . 31.1 mm -67.58 121.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.196 0.522 . . . . 0.28 112.099 -178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -105.08 -164.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.578 -0.737 . . . . 1.07 109.085 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -17.25 60.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.435 0.636 . . . . 0.85 110.271 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.8 mt -82.56 -47.55 12.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.166 -0.925 . . . . 1.65 110.251 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.6 p -85.09 -14.23 47.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.381 -0.827 . . . . 0.27 111.887 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.12 83.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.15 0.5 . . . . 0.29 110.347 174.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 2097 ' ' LEU . 2.9 pp -77.65 -43.0 32.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.62 -0.432 . . . . 0.4 110.473 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.511 ' N ' HD12 ' A' 2100 ' ' LEU . 7.4 mm-40 -56.88 -43.51 81.32 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 111.943 0.349 . . . . 0.72 111.943 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.497 ' HA ' HG11 ' A' 2074 ' ' VAL . 1.1 tt -56.22 -56.04 25.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 0.65 111.004 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.718 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.8 ptt-85 -68.42 -26.55 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.749 -0.38 . . . . 2.43 110.406 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.453 HD22 ' HA ' ' A' 2101 ' ' GLU . 91.5 m-20 -58.34 -47.28 84.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.344 0.593 . . . . 0.48 109.46 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2105 ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' 2109 ' ' ASN . 17.1 m -63.04 -52.11 64.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.137 -0.938 . . . . 0.51 109.772 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -36.93 69.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.983 -0.553 . . . . 1.13 111.389 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 92.6 m -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.376 0.608 . . . . 0.81 110.351 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -78.89 -26.73 43.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.643 -0.708 . . . . 2.81 111.454 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2109 ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' 2105 ' ' THR . 13.2 m120 -68.85 -32.59 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.069 0.462 . . . . 2.6 110.735 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 30.7 p -95.65 -40.95 9.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.879 -0.6 . . . . 1.03 111.311 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.97 49.27 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.827 -0.702 . . . . 1.05 112.273 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.4 pp -100.27 -173.29 2.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 1.45 110.913 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.05 140.02 47.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.672 -0.694 . . . . 1.18 110.459 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.489 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 3.8 pp -142.23 166.8 19.05 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 2.95 110.813 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.513 ' HD2' HD23 ' A' 2118 ' ' LEU . 29.2 Cg_endo -91.71 160.61 3.47 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.788 2.992 . . . . 1.1 113.466 -168.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.718 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 33.1 Cg_endo -65.13 -9.96 23.82 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.253 2.636 . . . . 0.75 112.926 177.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.7 p -101.63 2.78 39.19 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.368 -0.378 . . . . 0.86 110.966 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' 2115 ' ' PRO . 1.5 tm? -37.51 -66.15 0.26 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.288 -0.869 . . . . 0.7 112.284 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.74 -22.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.175 0.512 . . . . 0.5 110.671 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.67 -39.91 64.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.889 -0.596 . . . . 3.49 111.042 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.55 -38.77 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 2.0 111.467 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.0 m80 -124.05 58.72 16.09 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 119.109 -0.472 . . . . 0.71 111.385 -173.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -80.92 104.55 1.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-N 120.971 1.383 . . . . 0.43 111.546 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 143.05 0.49 Allowed Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.674 -1.148 . . . . 0.5 108.042 170.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.529 ' HA ' HG11 ' A' 2067 ' ' VAL . 36.0 Cg_exo -60.37 -46.89 16.02 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 121.675 1.584 . . . . 0.25 111.81 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.538 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.1 t60 -75.47 -30.49 59.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.8 112.057 -178.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -73.43 -38.6 65.47 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.131 -0.355 . . . . 0.34 111.262 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.01 -28.54 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.96 -0.385 . . . . 0.64 109.96 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.538 ' HB ' ' O ' ' A' 2126 ' ' HIS . 38.2 m -57.36 -36.54 71.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.823 -0.626 . . . . 0.33 110.387 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.35 -45.91 24.57 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.346 -0.843 . . . . 2.22 110.198 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 61.3 t60 -62.31 -52.97 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.59 110.562 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.518 HD13 ' HG3' ' A' 2135 ' ' ARG . 3.6 mm? -68.74 -23.01 64.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.48 111.063 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2133 ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' 2129 ' ' THR . 43.8 t-80 -64.71 -37.29 87.1 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.343 -0.614 . . . . 0.67 109.343 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.2 m -66.91 -41.2 87.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.781 -0.645 . . . . 0.74 109.547 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.518 ' HG3' HD13 ' A' 2132 ' ' LEU . 21.7 mmm180 -62.87 -42.45 99.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.611 -0.722 . . . . 3.18 110.918 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.497 ' HB3' ' HG3' ' A' 2049 ' ' MET . 29.8 mt -93.46 4.76 53.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.537 -0.756 . . . . 2.37 112.208 -172.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 22.0 p -105.48 -20.54 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.207 -0.664 . . . . 1.41 109.207 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -80.96 -7.81 59.61 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.648 -1.16 . . . . 2.57 110.907 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 12.5 p -87.58 111.6 21.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.734 -0.667 . . . . 3.48 110.942 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.495 -0.765 . . . . 6.78 110.09 177.393 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.387 -0.285 . . . . 6.58 112.387 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2047 ' ' SER . . . . . 0.421 ' HB2' ' HG3' ' A' 2049 ' ' MET . 12.1 p -135.18 139.63 44.7 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.627 -0.337 . . . . 4.27 110.515 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2048 ' ' HIS . . . . . 0.549 ' HB2' ' OE1' ' A' 2059 ' ' GLN . 11.9 m170 -99.65 23.48 9.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.337 -0.392 . . . . 6.67 110.663 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.523 ' HG3' ' HG ' ' A' 2136 ' ' LEU . 50.1 mtt -48.09 -48.17 33.82 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.451 0.643 . . . . 3.75 111.817 -177.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -71.15 -12.21 61.36 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.002 -0.999 . . . . 9.54 111.11 -174.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.37 23.68 6.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.162 -0.472 . . . . 6.31 110.362 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 62.6 t30 -48.92 144.09 4.93 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.665 -0.698 . . . . 4.71 110.747 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 102.37 -2.09 50.23 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.577 -1.409 . . . . 3.43 109.577 -167.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2054 ' ' LEU . . . . . 0.663 ' CD2' ' HG3' ' A' 2059 ' ' GLN . 0.0 OUTLIER -65.33 156.86 30.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.786 -1.207 . . . . 3.31 110.804 176.389 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.7 m -89.1 136.86 29.88 Favored Pre-proline 0 C--N 1.317 -0.828 0 N-CA-C 108.621 -0.881 . . . . 2.08 108.621 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' 2060 ' ' GLN . 41.9 Cg_exo -37.08 -46.1 1.42 Allowed 'Trans proline' 0 CA--C 1.535 0.525 0 C-N-CA 124.108 3.206 . . . . 1.78 115.447 -167.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.27 -22.99 61.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.221 0.452 . . . . 2.4 112.221 -175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.471 ' HB2' HD23 ' A' 2054 ' ' LEU . 16.2 mm100 -59.42 -43.22 93.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.577 0.227 . . . . 2.4 111.494 -177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.689 ' O ' HD13 ' A' 2063 ' ' LEU . 11.1 mt-30 -79.31 -43.4 23.67 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.489 -0.485 . . . . 2.83 110.456 175.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2060 ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' 2056 ' ' PRO . 42.6 mt-30 -55.65 -35.75 66.27 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 112.541 0.571 . . . . 1.38 112.541 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -63.13 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.275 -0.57 . . . . 1.97 110.311 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 98.3 m -61.44 -57.67 11.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.723 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' 2059 ' ' GLN . 5.9 mp -59.66 -38.84 82.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.391 -0.822 . . . . 0.92 111.997 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.45 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.37 110.514 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 49.8 m -81.33 -34.83 31.59 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.5 -0.556 . . . . 0.42 109.5 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.05 -63.9 1.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.37 110.719 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -53.62 -41.37 46.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 123.474 0.484 . . . . 0.64 111.362 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.64 -57.55 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.29 111.004 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.428 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.01 -28.49 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.29 110.939 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.02 -57.38 10.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.029 -0.532 . . . . 0.34 110.128 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.494 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.8 t -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.279 0.562 . . . . 0.38 110.426 -177.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.727 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -66.29 -25.36 66.82 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.362 -0.835 . . . . 0.54 110.409 174.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 24.0 m -86.71 -35.84 19.02 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.89 -0.324 . . . . 0.6 110.864 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.78 -40.83 70.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.78 109.897 -179.182 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 72.2 mt -91.08 126.87 36.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 1.24 110.95 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -69.16 89.65 0.26 Allowed Glycine 0 CA--C 1.518 0.277 0 CA-C-N 116.048 -0.524 . . . . 1.3 113.145 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 28.3 p80 -175.29 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.743 -0.836 . . . . 2.09 108.743 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.727 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 47.4 t-80 44.83 84.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.359 -1.291 . . . . 5.96 114.128 175.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' 2081 ' ' GLU . 4.3 m -152.71 96.7 2.95 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.887 -0.783 . . . . 1.52 108.887 167.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.428 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 23.0 Cg_exo -64.71 -19.48 64.58 Favored 'Trans proline' 0 N--CA 1.467 -0.064 0 C-N-CA 122.693 2.262 . . . . 0.7 111.655 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2081 ' ' GLU . . . . . 0.445 ' HB3' HG22 ' A' 2079 ' ' THR . 31.6 tt0 -64.98 -37.86 89.07 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.971 -1.013 . . . . 2.96 111.407 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.6 t -93.5 10.57 31.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.236 0.541 . . . . 1.7 110.55 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' 2071 ' ' THR . 21.9 mt -91.23 103.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.411 . . . . 0.76 110.032 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.567 ' HB2' ' OG1' ' A' 2087 ' ' THR . 53.9 m -75.49 130.67 79.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.189 -0.459 . . . . 0.42 110.581 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.497 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 60.1 Cg_endo -67.38 -27.62 40.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.321 2.68 . . . . 0.36 113.172 -175.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.93 -8.32 58.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.21 -0.45 . . . . 0.47 112.196 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.8 m -84.17 151.62 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.322 0.582 . . . . 0.39 110.906 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -87.04 137.59 32.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.284 -0.871 . . . . 0.32 109.497 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.434 ' HA ' HD23 ' A' 2092 ' ' LEU . 8.1 m-85 -53.39 -30.5 40.31 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.94 -0.573 . . . . 0.48 111.994 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -49.76 64.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 123.527 0.517 . . . . 2.91 109.911 174.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.89 -34.45 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 1.88 111.407 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.6 mm? -69.29 -23.38 63.82 Favored 'General case' 0 C--O 1.23 0.053 0 C-N-CA 120.827 -0.349 . . . . 0.73 111.251 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.99 5.7 6.18 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.021 -1.085 . . . . 0.27 112.918 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.467 HD11 ' OG1' ' A' 2071 ' ' THR . 33.8 mm -74.23 129.12 36.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.016 0.436 . . . . 0.28 111.663 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -112.73 -163.85 0.88 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.925 -1.139 . . . . 1.07 107.925 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 5.4 p -71.98 -39.87 68.99 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.125 -0.63 . . . . 0.85 110.7 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.786 ' O ' ' HG ' ' A' 2100 ' ' LEU . 2.1 tt -62.12 -53.46 55.06 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.422 -0.808 . . . . 1.65 111.61 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2098 ' ' THR . . . . . 0.519 ' N ' HD23 ' A' 2097 ' ' LEU . 0.6 OUTLIER -67.96 -16.45 64.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.8 0.333 . . . . 0.27 111.774 179.021 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.78 72.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.319 -0.4 . . . . 0.29 110.7 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.786 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.5 pp -80.25 -33.49 37.87 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.363 -0.535 . . . . 0.4 109.741 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' 2104 ' ' ASN . 9.2 mm-40 -58.71 -40.78 84.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.077 0.465 . . . . 0.72 110.664 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.469 HD22 HD11 ' A' 2106 ' ' LEU . 0.6 OUTLIER -63.59 -52.51 60.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.745 -0.662 . . . . 0.65 110.499 177.057 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.596 ' NH1' ' HA ' ' A' 2116 ' ' PRO . 40.0 mtm105 -58.44 -33.5 69.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.005 -0.543 . . . . 2.43 111.164 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' 2101 ' ' GLU . 73.4 m-20 -53.73 -42.29 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.48 111.0 175.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.61 -47.28 14.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.229 -0.441 . . . . 0.51 111.162 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.469 HD11 HD22 ' A' 2102 ' ' LEU . 85.0 mt -54.92 -48.45 73.08 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.873 0.368 . . . . 1.13 111.281 -177.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2107 ' ' THR . . . . . 0.622 ' HA ' HD23 ' A' 2114 ' ' LEU . 26.2 m -61.84 -49.69 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.647 . . . . 0.81 110.913 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 81.0 t60 -68.43 -32.63 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.767 -0.651 . . . . 2.81 111.574 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -71.51 -27.91 63.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 2.6 111.184 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 5.9 p -100.45 -35.28 9.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.295 -0.411 . . . . 1.03 111.943 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 92.36 11.68 59.39 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.146 -0.782 . . . . 1.05 111.146 -176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2112 ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' 2135 ' ' ARG . 57.4 mt -94.97 -168.57 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.973 -0.613 . . . . 1.45 111.313 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -120.51 119.81 34.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.859 -1.064 . . . . 1.18 109.715 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' 2107 ' ' THR . 4.2 mm? -112.48 133.35 21.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.315 -0.402 . . . . 2.95 110.91 -174.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -72.03 145.11 44.06 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.334 . . . . 1.1 111.802 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.596 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 38.1 Cg_endo -66.31 -13.25 39.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.822 2.348 . . . . 0.75 111.943 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.3 p -95.28 4.99 52.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.551 -0.75 . . . . 0.86 111.282 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.442 ' HB3' ' HD3' ' A' 2103 ' ' ARG . 20.8 tp -44.27 -59.04 2.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.326 0.584 . . . . 0.7 111.956 175.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 15.7 mm -79.08 -0.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.5 110.059 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -42.43 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.752 -0.832 . . . . 3.49 108.752 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -86.06 -51.23 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.432 -0.804 . . . . 2.0 111.263 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -125.69 64.69 50.63 Favored Pre-proline 0 C--N 1.331 -0.204 0 C-N-CA 120.808 -0.357 . . . . 0.71 111.364 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -80.2 104.46 1.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 CA-C-N 120.568 1.239 . . . . 0.43 110.259 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2124 ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.53 143.96 0.53 Allowed Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 114.582 -1.19 . . . . 0.5 108.923 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.497 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.5 Cg_exo -57.55 -59.47 0.57 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 121.806 1.671 . . . . 0.25 112.166 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.604 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.3 t60 -70.92 -35.23 72.18 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.974 0.361 . . . . 0.8 111.974 -174.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2127 ' ' ALA . . . . . 0.467 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.925 -0.31 . . . . 0.34 111.389 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2128 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' 2128 ' ' LEU . 18.8 mt -67.22 -36.75 82.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.982 0.42 . . . . 0.64 109.936 171.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -53.7 -42.98 68.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.543 -0.753 . . . . 0.33 110.341 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2130 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2126 ' ' HIS . 60.9 mt-30 -61.35 -44.78 96.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.516 -0.766 . . . . 2.22 110.477 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.91 -56.54 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 0.59 110.819 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.55 ' O ' HD13 ' A' 2136 ' ' LEU . 3.3 mm? -68.61 -24.6 64.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.882 -0.599 . . . . 0.48 110.971 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -65.7 -34.42 78.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.021 -0.363 . . . . 0.67 110.021 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 4.6 m -72.51 -42.01 65.27 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.74 109.774 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.527 ' HB3' HD13 ' A' 2112 ' ' LEU . 36.3 mmt180 -63.95 -21.13 66.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.52 0.563 . . . . 3.18 112.52 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.59 ' HB3' HE22 ' A' 2059 ' ' GLN . 8.7 mp -100.58 -13.16 18.71 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 111.966 0.358 . . . . 2.37 111.966 -175.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 30.8 p -111.8 -50.99 2.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.468 0.651 . . . . 1.41 111.12 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -20.2 58.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.993 -1.003 . . . . 2.57 111.58 -174.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 44.1 t -74.36 111.19 9.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.963 -0.384 . . . . 3.48 109.963 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 78.1 m-70 . . . . . 0 C--O 1.246 0.871 0 CA-C-N 115.811 -0.632 . . . . 6.78 110.938 -176.045 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2201 ' ' 66S . . . . . 0.431 ' C28' ' HB2' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2046 ' ' GLY . . . . . 0.714 ' N ' ' HG ' ' A' 2139 ' ' SER . . . . . . . . 0 N--CA 1.485 1.904 0 N-CA-C 111.634 -0.586 . . . . 6.58 111.634 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 14.5 m 59.93 -97.99 0.08 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.044 0.538 . . . . 4.27 111.244 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 8.3 p80 -132.39 6.81 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.682 0.277 . . . . 6.67 111.565 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2049 ' ' MET . . . . . 0.456 ' HG3' HD13 ' A' 2136 ' ' LEU . 24.5 mmt -72.08 -63.07 1.21 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.332 0.587 . . . . 3.75 112.463 -168.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -75.84 -0.67 22.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.106 -0.952 . . . . 9.54 111.269 -175.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.24 -53.99 3.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.106 -0.497 . . . . 6.31 110.601 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 40.3 t30 -96.25 113.8 25.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.382 0.512 . . . . 4.71 112.382 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 63.23 -32.44 0.08 OUTLIER Glycine 0 CA--C 1.531 1.065 0 N-CA-C 117.573 1.789 . . . . 3.43 117.573 163.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.81 137.02 33.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 118.844 1.322 . . . . 3.31 113.454 -170.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2055 ' ' SER . . . . . 0.441 ' H ' ' HB2' ' A' 2058 ' ' GLN . 39.9 p -100.35 169.47 7.91 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 114.19 -1.368 . . . . 2.08 107.625 164.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2056 ' ' PRO . . . . . 0.555 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 84.6 Cg_exo -46.82 -41.23 25.19 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.226 1.951 . . . . 1.78 113.1 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2057 ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' 2061 ' ' GLN . 54.7 mt-30 -71.36 -40.89 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.605 -0.271 . . . . 2.4 111.265 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2058 ' ' GLN . . . . . 0.441 ' HB2' ' H ' ' A' 2055 ' ' SER . 85.0 mm-40 -67.7 -33.58 75.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 2.4 111.069 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2059 ' ' GLN . . . . . 0.624 ' O ' HD13 ' A' 2063 ' ' LEU . 56.6 mt-30 -51.51 -55.06 21.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.881 -0.599 . . . . 2.83 111.033 175.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.35 -36.86 69.25 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.935 0.346 . . . . 1.38 111.935 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2061 ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' 2057 ' ' GLN . 48.6 mm-40 -62.32 -51.96 65.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.517 0.675 . . . . 1.97 109.684 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 58.7 m -53.6 -58.21 8.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.576 -1.193 . . . . 0.83 111.121 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2063 ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' 2059 ' ' GLN . 8.3 mp -57.38 -38.82 74.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.793 0.664 . . . . 0.92 112.793 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.37 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 22.0 m -90.63 -33.31 15.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.42 109.492 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2066 ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 17.1 tp -54.32 -60.94 2.66 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.366 -0.833 . . . . 0.37 110.995 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2067 ' ' VAL . . . . . 0.533 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.5 p -54.41 -41.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.595 -0.73 . . . . 0.64 111.55 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.86 -51.9 62.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.082 -0.508 . . . . 0.29 110.862 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2069 ' ' ALA . . . . . 0.535 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.99 -31.91 72.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.897 0.379 . . . . 0.29 110.603 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2070 ' ' ALA . . . . . 0.658 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.21 -59.88 4.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.815 -0.629 . . . . 0.34 109.86 175.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2071 ' ' THR . . . . . 0.48 ' HB ' HD11 ' A' 2102 ' ' LEU . 7.3 t -66.41 -31.77 72.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.02 0.438 . . . . 0.38 111.004 -173.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2072 ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -74.17 -19.01 60.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.014 -0.539 . . . . 0.54 111.15 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 66.3 m -89.88 -39.54 12.98 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.548 0.203 . . . . 0.6 111.548 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2074 ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -64.77 -36.64 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 109.069 -0.715 . . . . 0.78 109.069 179.115 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2075 ' ' LEU . . . . . 0.4 HD21 HD13 ' A' 2094 ' ' ILE . 58.0 mt -90.48 -37.27 14.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.197 -0.911 . . . . 1.24 111.583 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 60.35 82.95 0.06 OUTLIER Glycine 0 N--CA 1.46 0.241 0 C-N-CA 121.155 -0.545 . . . . 1.3 112.002 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.63 -1.76 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.909 1.077 . . . . 2.09 113.909 -171.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2078 ' ' HIS . . . . . 0.447 ' O ' ' HB1' ' A' 2072 ' ' ALA . 33.9 t60 -161.52 142.47 11.1 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 119.839 -0.744 . . . . 5.96 112.154 -169.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2079 ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 56.5 m -65.56 119.41 59.85 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.668 -0.696 . . . . 1.52 110.074 172.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2080 ' ' PRO . . . . . 0.535 ' HB3' ' N ' ' A' 2069 ' ' ALA . 50.1 Cg_exo -56.99 -34.79 98.29 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.09 2.527 . . . . 0.7 112.318 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.42 -20.94 64.99 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.488 -0.778 . . . . 2.96 111.208 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 10.7 t -110.32 19.35 18.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 1.7 111.033 -176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2083 ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.3 mt -87.45 117.65 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 O-C-N 122.053 -0.404 . . . . 0.76 110.48 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2084 ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' 2125 ' ' PRO . 33.2 m -69.11 134.11 89.59 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.745 . . . . 0.42 111.002 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2085 ' ' PRO . . . . . 0.533 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 57.1 Cg_endo -67.92 -30.48 32.91 Favored 'Trans proline' 0 N--CA 1.471 0.172 0 C-N-CA 123.737 2.958 . . . . 0.36 113.938 -172.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -96.93 13.97 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.957 0.725 . . . . 0.47 112.957 -173.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2087 ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.2 m -90.93 152.51 20.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.174 0.511 . . . . 0.39 111.168 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2088 ' ' ALA . . . . . 0.466 ' O ' HD22 ' A' 2092 ' ' LEU . . . -83.99 139.21 32.69 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.32 109.408 176.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2089 ' ' PHE . . . . . 0.471 ' HB3' HG13 ' A' 2094 ' ' ILE . 13.6 m-85 -60.89 -25.54 66.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 0.48 112.18 -176.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -18.22 61.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 120.968 0.414 . . . . 2.91 110.879 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2091 ' ' ASP . . . . . 0.421 ' HB3' HG22 ' A' 2087 ' ' THR . 14.9 t70 -80.96 -29.45 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.329 -0.619 . . . . 1.88 109.329 174.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2092 ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' 2088 ' ' ALA . 0.6 OUTLIER -80.86 -23.24 39.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.73 110.818 178.074 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.57 11.22 5.61 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.364 -0.922 . . . . 0.27 113.463 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2094 ' ' ILE . . . . . 0.471 HG13 ' HB3' ' A' 2089 ' ' PHE . 26.0 mm -70.33 125.19 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.986 0.422 . . . . 0.28 112.089 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2095 ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' 2099 ' ' ALA . 22.9 m-20 -98.37 -168.58 1.67 Allowed 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.601 -0.727 . . . . 1.07 109.061 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -24.08 44.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 118.924 -1.11 . . . . 0.85 109.608 174.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.7 mt -75.58 -52.79 9.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.158 -0.928 . . . . 1.65 110.027 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.52 -12.01 60.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.301 -0.863 . . . . 0.27 111.825 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.12 -47.65 85.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 0.29 110.122 173.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2100 ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -70.81 -35.82 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.418 -0.355 . . . . 0.4 110.781 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2101 ' ' GLU . . . . . 0.571 ' N ' HD12 ' A' 2100 ' ' LEU . 6.7 mm-40 -58.74 -44.04 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.795 0.331 . . . . 0.72 111.396 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2102 ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.7 tt -56.61 -54.46 45.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.03 -0.532 . . . . 0.65 110.065 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2103 ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 60.2 ttp85 -55.41 -40.13 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 2.43 111.182 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2104 ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' 2101 ' ' GLU . 84.0 m-20 -51.22 -51.88 49.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.48 110.601 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.8 m -62.16 -45.4 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.51 110.821 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2106 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 2102 ' ' LEU . 73.0 mt -59.77 -44.51 93.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 1.13 111.326 -178.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 24.3 m -65.54 -41.93 92.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.929 -0.578 . . . . 0.81 110.867 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.38 -27.07 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.973 -0.558 . . . . 2.81 110.954 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -77.08 -48.13 18.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.158 0.504 . . . . 2.6 110.973 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 17.7 p -70.62 -41.03 72.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 1.03 111.438 -174.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.48 -31.07 8.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 1.05 112.731 175.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.4 pp -84.44 -177.65 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.963 0.411 . . . . 1.45 110.717 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.96 133.5 55.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.134 -0.484 . . . . 1.18 110.026 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2114 ' ' LEU . . . . . 0.637 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -135.06 177.17 2.36 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.772 -0.649 . . . . 2.95 109.424 -178.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2115 ' ' PRO . . . . . 0.637 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.6 Cg_endo -81.33 151.62 17.79 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.014 1.809 . . . . 1.1 112.83 -168.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2116 ' ' PRO . . . . . 0.469 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 35.1 Cg_endo -64.38 -16.66 56.3 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.108 2.539 . . . . 0.75 111.973 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 20.6 p -89.89 4.09 51.02 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.865 -0.607 . . . . 0.86 110.967 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2118 ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' 2115 ' ' PRO . 2.0 tm? -32.81 -62.09 0.26 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.68 0.792 . . . . 0.7 112.958 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2119 ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' 2099 ' ' ALA . 41.1 mm -75.04 -25.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.336 0.589 . . . . 0.5 110.838 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -73.7 -32.1 63.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.568 -0.742 . . . . 3.49 110.279 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.7 -51.65 8.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 2.0 111.124 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -126.66 72.58 74.3 Favored Pre-proline 0 N--CA 1.465 0.276 0 CA-C-O 119.359 -0.353 . . . . 0.71 111.61 -171.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -81.71 104.24 1.43 Allowed 'Trans proline' 0 N--CA 1.446 -1.293 0 CA-C-N 120.479 1.207 . . . . 0.43 111.581 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.55 140.68 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 124.573 1.149 . . . . 0.5 108.235 168.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2125 ' ' PRO . . . . . 0.533 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 51.9 Cg_exo -55.57 -58.15 1.25 Allowed 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 121.914 1.743 . . . . 0.25 112.216 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2126 ' ' HIS . . . . . 0.545 ' O ' ' HB ' ' A' 2129 ' ' THR . 71.6 t60 -69.17 -31.48 70.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.8 111.946 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.55 87.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.84 0.352 . . . . 0.34 110.636 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.26 -36.89 85.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.64 110.512 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2129 ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' 2126 ' ' HIS . 90.9 m -52.07 -52.61 50.06 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.33 110.009 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -63.73 -44.89 92.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.361 -0.836 . . . . 2.22 111.955 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2131 ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' 2135 ' ' ARG . 27.5 t-80 -58.17 -59.49 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.932 -0.307 . . . . 0.59 110.227 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2132 ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.8 mm? -65.03 -31.64 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.48 110.957 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -60.87 -45.9 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.867 -0.42 . . . . 0.67 109.867 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 11.0 m -66.07 -33.96 76.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.76 -0.655 . . . . 0.74 110.274 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2135 ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' 2131 ' ' HIS . 3.7 mmp_? -61.99 -35.52 78.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.399 0.619 . . . . 3.18 110.556 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2136 ' ' LEU . . . . . 0.456 HD13 ' HG3' ' A' 2049 ' ' MET . 13.9 mt -88.48 -33.06 17.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.328 -0.851 . . . . 2.37 111.271 -175.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 32.2 p -78.91 -26.26 43.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.645 0.26 . . . . 1.41 111.494 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -63.68 -16.61 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 2.57 111.528 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2139 ' ' SER . . . . . 0.714 ' HG ' ' N ' ' A' 2046 ' ' GLY . 42.7 t -92.13 79.17 5.15 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.339 0.59 . . . . 3.48 109.582 174.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 23.5 t60 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.456 -0.783 . . . . 6.78 109.436 177.32 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.748 ' O ' ' HG ' ' A' 2063 ' ' LEU . 52.4 mt-30 . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.738 -0.467 . . . . 2.83 109.738 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -54.32 -44.5 72.09 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 112.406 0.521 . . . . 1.38 112.406 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.59 -40.26 86.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 1.97 110.567 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' 2059 ' ' GLN . 84.9 m -57.93 -43.85 86.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.83 110.756 173.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' 2059 ' ' GLN . 17.6 mt -78.43 -36.89 44.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.376 -0.829 . . . . 0.92 111.292 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.21 -24.37 67.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.169 0.509 . . . . 0.37 110.419 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -82.42 -38.39 24.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.18 -0.674 . . . . 0.42 109.18 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.97 -63.94 1.12 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.261 -0.881 . . . . 0.37 111.385 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.35 -38.9 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 0.64 111.596 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.05 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.549 -0.296 . . . . 0.29 110.905 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.465 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.97 -32.72 74.12 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.1 0.476 . . . . 0.29 109.96 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.97 -56.83 13.68 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.339 -0.846 . . . . 0.34 110.353 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.571 ' HB ' HD11 ' A' 2102 ' ' LEU . 14.0 t -68.08 -36.36 79.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.014 0.435 . . . . 0.38 111.417 -174.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.617 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -68.25 -22.84 64.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.1 -0.5 . . . . 0.54 110.565 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 54.4 m -81.01 -42.16 21.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.6 111.499 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -62.48 -36.73 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.353 0.596 . . . . 0.78 109.816 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.528 -0.76 . . . . 1.24 111.978 177.378 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.731 -0.47 . . . . 1.52 109.731 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' 2069 ' ' ALA . 52.8 Cg_exo -57.78 -29.56 86.28 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.031 2.487 . . . . 0.7 112.566 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.02 -21.9 66.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 2.96 110.646 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.7 t -100.57 6.9 44.28 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.539 -0.755 . . . . 1.7 111.122 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' 2072 ' ' ALA . 11.5 mt -83.58 111.03 19.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.899 0.38 . . . . 0.76 110.189 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.449 ' HB2' ' OG1' ' A' 2087 ' ' THR . 25.3 m -74.31 126.5 88.92 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.822 -0.626 . . . . 0.42 111.427 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.523 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 18.4 Cg_endo -59.59 -38.79 79.99 Favored 'Trans proline' 0 CA--C 1.516 -0.394 0 C-N-CA 123.954 3.103 . . . . 0.36 113.671 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -71.96 -5.79 37.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.671 -0.695 . . . . 0.47 112.147 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.469 ' O ' HG22 ' A' 2124 ' ' THR . 3.7 m -90.28 153.1 20.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.214 0.531 . . . . 0.39 110.861 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.414 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.25 142.82 27.06 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.477 -0.783 . . . . 0.32 110.083 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.492 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.2 m-85 -54.36 -29.72 49.26 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.323 0.389 . . . . 0.48 110.915 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -42.8 -63.61 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.22 -0.9 . . . . 2.91 110.605 168.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.97 -37.61 83.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.931 -1.486 . . . . 1.88 112.103 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' 2088 ' ' ALA . 0.9 OUTLIER -67.55 -21.44 65.46 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.664 0.246 . . . . 0.73 111.664 -178.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.09 10.62 8.04 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.421 -0.895 . . . . 0.27 112.767 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 33.7 mm -77.73 131.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.951 0.405 . . . . 0.28 111.685 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . 0.515 ' HB2' HD12 ' A' 2097 ' ' LEU . 29.2 m-20 -107.0 -162.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.012 -0.736 . . . . 1.07 109.012 172.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -34.17 51.57 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.06 -0.656 . . . . 0.85 111.371 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.61 -44.03 58.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.938 -0.573 . . . . 1.65 110.512 -177.652 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.89 -16.08 58.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.245 -0.434 . . . . 0.27 111.806 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.521 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.74 -48.54 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.29 110.417 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -70.69 -36.02 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.278 -0.419 . . . . 0.4 110.562 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.474 ' N ' HD12 ' A' 2100 ' ' LEU . 8.4 mm-40 -62.13 -38.84 90.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.864 0.364 . . . . 0.72 111.39 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.571 HD11 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -58.09 -53.81 54.01 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.824 -0.436 . . . . 0.65 109.824 173.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 50.3 ttp85 -53.74 -49.52 67.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.826 . . . . 2.43 109.791 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.42 HD22 ' HA ' ' A' 2101 ' ' GLU . 93.9 m-20 -48.95 -49.37 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.567 -0.742 . . . . 0.48 110.943 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 53.5 m -61.6 -53.15 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.51 111.743 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' 2102 ' ' LEU . 3.2 pp -72.67 -19.83 61.36 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.687 -0.405 . . . . 1.13 111.528 -176.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 93.5 m -73.71 -39.92 63.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 0.81 109.87 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -67.83 -24.36 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 2.81 110.673 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -91.69 -7.09 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.118 -0.492 . . . . 2.6 111.795 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 14.9 p -108.83 -29.69 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.758 0.281 . . . . 1.03 111.758 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.51 6.02 86.26 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.806 -0.712 . . . . 1.05 112.939 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 2.1 pp -109.88 -169.78 1.53 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.704 -0.292 . . . . 1.45 110.51 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -113.88 137.94 50.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.339 -0.391 . . . . 1.18 110.182 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' 2114 ' ' LEU . 3.9 tp -133.71 141.03 38.5 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.226 -0.443 . . . . 2.95 110.635 -172.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.57 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -66.94 144.09 68.91 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.191 2.594 . . . . 1.1 112.487 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.2 -5.96 12.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.956 2.437 . . . . 0.75 112.359 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.3 p -98.49 3.23 48.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.591 . . . . 0.86 110.106 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.7 OUTLIER -39.34 -64.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.387 -1.279 . . . . 0.7 112.635 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' 2099 ' ' ALA . 39.0 mm -73.89 -25.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 0.5 110.83 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.22 -36.52 83.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.914 -0.585 . . . . 3.49 110.294 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.86 -44.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 2.0 112.605 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . 0.416 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 7.9 m-70 -128.42 64.19 66.79 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 120.393 -0.523 . . . . 0.71 111.925 -172.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' 2124 ' ' THR . 59.5 Cg_endo -82.87 106.58 1.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 CA-C-N 119.972 1.026 . . . . 0.43 112.995 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.676 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p -176.67 158.99 1.58 Allowed Pre-proline 0 C--O 1.236 0.342 0 N-CA-C 105.786 -1.931 . . . . 0.5 105.786 164.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.501 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.3 Cg_exo -61.75 -38.97 56.43 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 120.427 1.188 . . . . 0.25 109.825 169.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 68.1 t60 -62.51 -55.95 22.63 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.19 -0.913 . . . . 0.8 112.484 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -59.3 -40.06 85.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.303 . . . . 0.34 111.696 -173.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' 2119 ' ' ILE . 24.7 mt -67.3 -35.28 79.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.788 -0.365 . . . . 0.64 110.682 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.527 HG23 ' HB2' ' A' 2063 ' ' LEU . 63.8 m -54.49 -41.0 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.252 0.549 . . . . 0.33 110.6 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -47.88 35.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.51 -0.768 . . . . 2.22 110.077 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' 2135 ' ' ARG . 79.8 t60 -59.62 -50.22 74.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.973 -0.558 . . . . 0.59 110.573 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.33 -28.22 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.596 -0.274 . . . . 0.48 111.064 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -62.62 -46.41 88.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.562 -0.532 . . . . 0.67 109.562 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 9.6 m -65.65 -36.49 83.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.74 110.562 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 2131 ' ' HIS . 7.0 mmp_? . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 3.18 111.429 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.632 ' O ' HD13 ' A' 2063 ' ' LEU . 26.9 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.325 0.107 . . . . 2.83 110.746 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -48.26 -44.56 33.56 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 112.845 0.683 . . . . 1.38 112.845 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.28 -43.93 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 1.97 110.957 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 64.3 m -60.5 -56.59 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.83 110.791 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' 2059 ' ' GLN . 6.1 mp -61.22 -37.23 82.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.602 -0.726 . . . . 0.92 112.084 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.19 -26.59 67.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.37 110.801 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 27.9 m -83.2 -38.04 22.82 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.18 -0.674 . . . . 0.42 109.18 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.456 HD22 ' ND2' ' A' 2109 ' ' ASN . 20.8 tp -55.31 -61.16 2.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.435 -0.802 . . . . 0.37 110.843 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' 2063 ' ' LEU . 6.2 p -56.48 -42.97 76.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.38 -0.827 . . . . 0.64 111.735 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.52 80.44 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.487 -0.19 . . . . 0.29 110.487 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.512 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.71 -40.01 90.71 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.812 0.339 . . . . 0.29 110.221 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.716 ' O ' HG13 ' A' 2074 ' ' VAL . . . -60.56 -56.81 16.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.724 -0.671 . . . . 0.34 110.845 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.454 ' CB ' HD11 ' A' 2102 ' ' LEU . 4.6 t -68.17 -25.32 65.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.215 0.531 . . . . 0.38 110.781 -175.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -76.07 -34.07 59.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.675 . . . . 0.54 111.236 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 92.4 m -78.91 -42.07 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.086 0.402 . . . . 0.6 112.086 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.716 HG13 ' O ' ' A' 2070 ' ' ALA . 1.8 m -60.66 -34.72 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.697 0.76 . . . . 0.78 109.572 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 114.825 -1.079 . . . . 1.24 111.109 176.75 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 24.0 m . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.214 -0.661 . . . . 1.52 109.214 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.512 ' HB3' ' N ' ' A' 2069 ' ' ALA . 12.8 Cg_exo -67.44 -28.79 38.54 Favored 'Trans proline' 0 CA--C 1.513 -0.527 0 C-N-CA 122.773 2.315 . . . . 0.7 110.785 -173.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.12 -29.11 70.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.231 -1.35 . . . . 2.96 110.245 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 38.7 t -101.95 12.32 37.12 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.055 -0.975 . . . . 1.7 111.125 -172.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.8 mt -84.11 128.27 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 0.76 111.046 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' 2125 ' ' PRO . 15.2 m -83.97 125.0 73.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.622 -0.717 . . . . 0.42 111.024 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.487 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 40.3 Cg_endo -63.49 -32.71 70.41 Favored 'Trans proline' 0 N--CA 1.473 0.306 0 C-N-CA 123.712 2.941 . . . . 0.36 113.929 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.66 -11.45 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.344 0.498 . . . . 0.47 112.344 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.6 m -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.485 0.66 . . . . 0.39 111.062 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.402 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.08 138.93 30.97 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.13 -0.941 . . . . 0.32 110.045 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.527 ' HB3' HG13 ' A' 2094 ' ' ILE . 7.6 m-30 -53.15 -30.37 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.469 -0.787 . . . . 0.48 112.523 -177.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -58.62 -40.19 82.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 2.91 110.81 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.49 -30.32 65.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.39 -0.823 . . . . 1.88 110.522 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.4 mm? -78.06 -21.75 50.15 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.501 -0.318 . . . . 0.73 110.915 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.96 2.51 6.09 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.229 -0.986 . . . . 0.27 113.932 173.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.527 HG13 ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -65.39 128.17 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.26 0.53 . . . . 0.28 112.063 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -107.68 -174.11 2.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.672 -0.862 . . . . 1.07 108.672 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -27.73 64.5 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.645 -0.822 . . . . 0.85 109.924 176.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.749 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.1 mt -64.53 -58.99 4.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.96 . . . . 1.65 110.709 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.92 60.75 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.771 -0.649 . . . . 0.27 112.199 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -61.87 -34.61 76.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.189 -0.459 . . . . 0.29 111.117 174.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -76.65 -42.28 42.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.306 -0.557 . . . . 0.4 110.635 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.511 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -60.38 -39.66 88.08 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.72 111.398 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' 2094 ' ' ILE . 0.9 OUTLIER -62.29 -52.56 63.23 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.908 -0.587 . . . . 0.65 110.859 -179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.684 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 14.8 ptt-85 -68.14 -24.09 64.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.758 -0.377 . . . . 2.43 110.267 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' 2101 ' ' GLU . 79.3 m-20 -58.05 -46.82 84.76 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.018 0.437 . . . . 0.48 109.914 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.6 m -72.81 -42.26 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.911 -0.586 . . . . 0.51 111.165 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' 2067 ' ' VAL . 93.9 mt -61.64 -55.8 26.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.944 0.402 . . . . 1.13 111.605 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 6.7 m -66.93 -27.48 67.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 0.81 110.798 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -68.23 -30.13 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 2.81 110.976 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.456 ' ND2' HD22 ' A' 2066 ' ' LEU . 9.0 t30 -76.9 -20.93 55.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.579 0.704 . . . . 2.6 110.776 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.502 HG21 HD12 ' A' 2132 ' ' LEU . 1.3 p -110.67 -37.18 5.52 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 113.369 0.877 . . . . 1.03 113.369 -174.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 102.82 0.97 49.08 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.289 -0.958 . . . . 1.05 114.325 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.526 HD22 ' H ' ' A' 2112 ' ' LEU . 0.1 OUTLIER -66.67 -170.29 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 122.13 0.967 . . . . 1.45 110.855 175.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.16 131.17 48.84 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.486 -1.233 . . . . 1.18 110.165 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.96 108.25 1.51 Allowed Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.618 -0.719 . . . . 2.95 112.611 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.493 ' HG2' HD23 ' A' 2118 ' ' LEU . 57.7 Cg_endo -92.06 126.85 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.197 2.598 . . . . 1.1 112.031 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.684 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 21.7 Cg_endo -61.86 -10.42 17.27 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.359 2.039 . . . . 0.75 112.343 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 16.7 p -103.39 2.44 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.86 112.11 -174.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.6 tm? -49.93 -66.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 0.7 111.857 -175.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.542 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.2 mm -79.72 -15.05 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.467 0.651 . . . . 0.5 110.307 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . 0.46 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.1 m-85 -72.68 -36.65 67.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.63 -0.714 . . . . 3.49 110.389 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -37.6 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 2.0 112.098 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -132.1 62.01 61.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.266 -0.574 . . . . 0.71 112.422 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' 2089 ' ' PHE . 64.0 Cg_endo -82.09 105.47 1.49 Allowed 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.499 1.214 . . . . 0.43 111.095 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.75 147.29 0.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.711 -0.848 . . . . 0.5 108.711 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.487 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.1 Cg_exo -62.76 -57.91 0.38 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 121.385 1.39 . . . . 0.25 111.523 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.453 ' O ' ' HB ' ' A' 2129 ' ' THR . 79.6 t60 -64.49 -41.96 96.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 0.8 111.779 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.644 0.259 . . . . 0.34 111.204 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' 2106 ' ' LEU . 42.3 mt -62.16 -34.81 77.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.64 110.846 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' 2126 ' ' HIS . 89.5 m -53.32 -48.11 68.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.051 0.453 . . . . 0.33 110.07 176.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' 2126 ' ' HIS . 8.1 mm100 -63.46 -36.43 83.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.434 -0.803 . . . . 2.22 111.118 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.563 ' O ' ' HG2' ' A' 2135 ' ' ARG . 46.9 t60 -62.34 -55.72 25.37 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 0.59 110.293 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.502 HD12 HG21 ' A' 2110 ' ' THR . 2.7 mm? -71.15 -25.72 62.68 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.678 -0.409 . . . . 0.48 110.709 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -63.85 -42.85 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.856 -0.424 . . . . 0.67 109.856 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 58.7 m -64.54 -37.0 86.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.881 -0.599 . . . . 0.74 110.61 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.9 mmp_? . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.143 0.497 . . . . 3.18 110.876 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.688 ' O ' HD13 ' A' 2063 ' ' LEU . 8.8 mm100 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 111.73 0.27 . . . . 2.83 111.73 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -53.41 -47.56 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.168 0.432 . . . . 1.38 112.168 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.477 -0.489 . . . . 1.97 110.907 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -60.03 4.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.83 110.802 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.688 HD13 ' O ' ' A' 2059 ' ' GLN . 5.3 mp -59.43 -37.41 78.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.28 -0.873 . . . . 0.92 112.152 -177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.37 110.828 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 34.9 m -83.3 -40.7 19.18 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.283 -0.636 . . . . 0.42 109.283 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.42 HD22 ' ND2' ' A' 2109 ' ' ASN . 20.0 tp -55.11 -62.05 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.147 -0.933 . . . . 0.37 111.11 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -57.76 -41.25 79.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.023 -0.535 . . . . 0.64 111.487 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.535 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -61.74 -49.16 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.144 -0.48 . . . . 0.29 110.945 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.422 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.16 -31.48 71.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.5 -0.318 . . . . 0.29 110.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 2074 ' ' VAL . . . -62.16 -64.52 0.91 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.34 109.718 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . . . . . . . . . 11.2 t -59.81 -32.07 70.3 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.741 -0.663 . . . . 0.38 111.603 -174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.56 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -72.31 -33.21 67.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.869 -0.605 . . . . 0.54 111.455 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 88.0 m -81.63 -32.78 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.301 0.375 . . . . 0.6 111.669 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.595 HG12 HG22 ' A' 2098 ' ' THR . 1.5 t -51.84 -60.14 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.325 0.584 . . . . 0.78 109.807 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' 2075 ' ' LEU . 9.7 mp . . . . . 0 N--CA 1.445 -0.691 0 CA-C-N 115.255 -0.884 . . . . 1.24 111.468 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.414 HG22 ' H ' ' A' 2081 ' ' GLU . 10.8 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 109.07 -0.715 . . . . 1.52 109.07 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.422 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 24.5 Cg_exo -63.96 -23.18 68.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.627 2.218 . . . . 0.7 110.928 -177.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . 0.414 ' H ' HG22 ' A' 2079 ' ' THR . 10.4 mm-40 -72.09 -18.63 61.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.547 -1.206 . . . . 2.96 110.478 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.8 t -110.57 7.48 22.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.207 -0.906 . . . . 1.7 111.104 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' 2072 ' ' ALA . 7.3 mm -70.72 112.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 122.009 -0.432 . . . . 0.76 109.911 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.467 ' HB2' ' OG1' ' A' 2087 ' ' THR . 16.7 m -72.56 125.66 91.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.487 . . . . 0.42 110.57 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 54.5 Cg_endo -66.05 -32.18 44.47 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.701 2.934 . . . . 0.36 113.823 -174.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -83.23 -15.26 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.218 -0.446 . . . . 0.47 112.055 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.3 m -75.8 153.08 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.434 0.635 . . . . 0.39 110.771 -177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.74 144.57 25.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.425 -0.807 . . . . 0.32 109.863 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.463 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 32.1 m-85 -57.88 -28.35 64.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.461 -0.336 . . . . 0.48 110.792 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.87 -52.34 24.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.606 -0.725 . . . . 2.91 109.949 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.02 -28.29 57.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.685 -1.143 . . . . 1.88 112.176 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' 2088 ' ' ALA . 0.4 OUTLIER -70.24 -20.56 63.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.027 -0.269 . . . . 0.73 110.889 176.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.42 4.41 13.7 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.748 -0.739 . . . . 0.27 112.285 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 32.2 mm -70.86 135.12 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.968 0.413 . . . . 0.28 111.319 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.15 -169.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.901 -0.777 . . . . 1.07 108.901 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -24.71 63.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.85 110.115 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.0 mt -76.51 -48.44 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.446 -1.252 . . . . 1.65 110.308 -175.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.595 HG22 HG12 ' A' 2074 ' ' VAL . 1.2 p -82.26 -16.83 48.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.411 -0.813 . . . . 0.27 112.068 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.73 -42.04 87.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.068 0.461 . . . . 0.29 110.664 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.4 pp -73.7 -40.97 63.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.647 -0.421 . . . . 0.4 110.296 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.489 ' HA ' HD22 ' A' 2104 ' ' ASN . 16.7 mm-40 -58.63 -38.98 79.24 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 120.65 0.262 . . . . 0.72 111.307 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.477 HD22 HD11 ' A' 2106 ' ' LEU . 1.3 tt -61.49 -57.93 10.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.295 -0.411 . . . . 0.65 110.487 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -67.21 -20.48 65.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.277 -0.42 . . . . 2.43 111.253 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.489 HD22 ' HA ' ' A' 2101 ' ' GLU . 61.0 m-20 -57.18 -50.67 72.1 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.008 -0.367 . . . . 0.48 110.008 172.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.0 m -74.36 -36.79 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.531 . . . . 0.51 111.15 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.477 HD11 HD22 ' A' 2102 ' ' LEU . 89.8 mt -57.88 -49.54 76.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.947 0.403 . . . . 1.13 110.739 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.9 m -68.96 -33.42 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.81 110.431 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -62.31 -42.76 99.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.859 -0.61 . . . . 2.81 110.364 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.42 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.0 t30 -68.77 -35.94 77.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.892 -0.594 . . . . 2.6 110.947 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 19.7 p -88.13 -34.67 17.79 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.773 -0.648 . . . . 1.03 112.729 -170.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.27 5.07 63.99 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.86 -0.686 . . . . 1.05 112.075 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.6 -170.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 1.45 110.913 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . 0.645 ' O ' ' HD3' ' A' 2115 ' ' PRO . 12.6 t70 -99.02 139.12 35.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.341 -0.845 . . . . 1.18 109.105 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 60.0 tp -79.37 106.21 4.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.542 0.571 . . . . 2.95 112.542 -172.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' A' 2113 ' ' ASP . 72.2 Cg_endo -91.45 136.73 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.025 2.483 . . . . 1.1 112.148 175.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.8 -5.5 17.31 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.34 2.026 . . . . 0.75 112.096 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' 2120 ' ' PHE . 4.8 p -102.85 2.6 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.86 111.579 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.471 HD23 ' HG2' ' A' 2115 ' ' PRO . 0.9 OUTLIER -52.28 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 0.7 111.799 -176.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' 2099 ' ' ALA . 31.3 mm -81.27 -14.62 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.625 . . . . 0.5 109.957 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' 2117 ' ' THR . 68.7 t80 -69.11 -53.92 17.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 3.49 110.486 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . 0.409 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 19.9 t70 -82.25 -41.04 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.509 -0.769 . . . . 2.0 111.786 -172.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 1.1 m-70 -122.76 58.2 10.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 118.98 -0.533 . . . . 0.71 111.906 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -81.24 104.3 1.5 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 CA-C-N 121.159 1.45 . . . . 0.43 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 146.39 0.61 Allowed Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 124.655 1.182 . . . . 0.5 107.834 170.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.483 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -60.81 -53.6 2.56 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 121.608 1.539 . . . . 0.25 111.422 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.485 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 78.3 t60 -66.87 -34.57 78.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.8 111.932 -178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.51 74.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.724 0.297 . . . . 0.34 111.069 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.2 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.459 -0.337 . . . . 0.64 110.179 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' 2133 ' ' HIS . 89.0 m -56.59 -36.54 69.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.33 110.707 175.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.32 -46.16 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 2.22 110.497 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.559 ' O ' ' HG2' ' A' 2135 ' ' ARG . 64.0 t60 -58.91 -55.96 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.59 110.573 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.9 mm? -65.91 -28.25 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.823 -0.626 . . . . 0.48 110.833 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' 2129 ' ' THR . 15.6 t-80 -63.36 -39.97 95.99 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.921 -0.4 . . . . 0.67 109.921 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 26.0 m -72.59 -39.96 66.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.001 -0.545 . . . . 0.74 110.495 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.3 mmp_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 3.18 110.856 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.678 ' O ' HD13 ' A' 2063 ' ' LEU . 4.8 mt-30 . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 120.059 -0.02 . . . . 2.83 110.981 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -53.83 -42.45 68.47 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.494 0.554 . . . . 1.38 112.494 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.994 -0.682 . . . . 1.97 110.696 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.2 m -55.68 -57.98 9.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.83 110.96 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' 2059 ' ' GLN . 5.8 mp -59.27 -36.88 76.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.669 -0.696 . . . . 0.92 111.719 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.76 74.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.957 0.408 . . . . 0.37 111.02 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.2 m -80.95 -37.93 28.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.35 -0.611 . . . . 0.42 109.35 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 16.6 tp -55.72 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.994 -1.003 . . . . 0.37 110.983 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -57.07 -41.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.64 111.374 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.29 111.148 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.41 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -67.08 -32.2 73.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.344 -0.389 . . . . 0.29 110.616 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.672 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.99 -61.13 2.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.34 110.153 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.454 ' HB ' HD11 ' A' 2102 ' ' LEU . 13.7 t -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.851 -0.613 . . . . 0.38 111.145 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -70.3 -23.42 62.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.54 111.624 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.3 m -90.22 -35.3 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.904 0.335 . . . . 0.6 111.904 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -65.69 -37.47 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.229 -0.656 . . . . 0.78 109.229 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.086 -0.961 . . . . 1.24 111.153 175.829 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.804 -0.443 . . . . 1.52 109.804 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.437 ' O ' ' HB1' ' A' 2068 ' ' ALA . 50.4 Cg_exo -55.71 -35.39 93.16 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.49 2.793 . . . . 0.7 112.5 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.92 -25.77 65.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.939 -0.573 . . . . 2.96 111.203 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 14.7 t -106.02 14.98 27.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.499 . . . . 1.7 111.419 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.1 mm -72.69 112.87 9.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.909 -0.404 . . . . 0.76 109.909 175.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.6 m -73.48 125.75 90.42 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.195 0.521 . . . . 0.42 111.073 -176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.435 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 59.8 Cg_endo -67.56 -32.46 31.17 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.813 3.009 . . . . 0.36 114.257 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.26 -13.54 58.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.18 0.437 . . . . 0.47 112.18 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.6 m -83.6 151.55 25.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.127 0.489 . . . . 0.39 110.493 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -90.61 141.73 28.48 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.656 . . . . 0.32 109.751 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.447 ' HZ ' ' CG2' ' A' 2067 ' ' VAL . 28.3 m-85 -52.13 -31.75 32.41 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.295 0.372 . . . . 0.48 111.291 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -49.89 -55.4 14.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.288 -0.869 . . . . 2.91 110.479 173.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.4 -28.92 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 1.88 111.597 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' 2089 ' ' PHE . 0.5 OUTLIER -66.48 -21.26 66.19 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 122.257 -0.277 . . . . 0.73 111.462 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.83 -9.19 9.16 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.631 -0.795 . . . . 0.27 112.141 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' 2089 ' ' PHE . 28.2 mm -61.54 130.81 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 122.847 0.459 . . . . 0.28 111.603 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -103.42 -169.67 1.68 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.727 -0.842 . . . . 1.07 108.727 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -25.82 59.45 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.745 0.783 . . . . 0.85 109.324 174.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' A' 2100 ' ' LEU . 29.5 mt -72.31 -51.38 21.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.332 -1.304 . . . . 1.65 110.661 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -13.73 59.82 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.665 -0.698 . . . . 0.27 111.936 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' 2119 ' ' ILE . . . -59.75 -39.62 85.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.29 110.794 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -73.8 -41.56 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.588 -0.445 . . . . 0.4 110.504 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' 2100 ' ' LEU . 9.4 mm-40 -59.56 -40.1 86.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.046 0.45 . . . . 0.72 111.479 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.1 tt -59.8 -55.02 39.46 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.65 110.655 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.58 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 19.1 ptt-85 -68.52 -22.21 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 2.43 110.868 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.47 HD22 ' HA ' ' A' 2101 ' ' GLU . 75.0 m-20 -58.74 -47.03 86.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.554 -0.536 . . . . 0.48 109.554 172.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' 2109 ' ' ASN . 10.1 m -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.51 110.598 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 2102 ' ' LEU . 77.7 mt -56.57 -49.03 76.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 1.13 111.419 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 98.4 m -66.03 -42.76 89.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.418 . . . . 0.81 111.356 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.3 -29.84 65.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.222 -0.444 . . . . 2.81 110.65 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.4 t-20 -82.26 -11.62 58.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.83 -0.623 . . . . 2.6 110.836 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 21.8 p -106.22 -40.81 5.52 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.868 0.321 . . . . 1.03 111.868 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 104.06 17.94 14.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.832 -0.699 . . . . 1.05 111.628 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 37.4 mt -91.53 -169.84 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 1.45 110.936 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' A' 2115 ' ' PRO . 26.2 t70 -109.95 134.14 52.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.245 -0.889 . . . . 1.18 109.803 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.99 109.88 4.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 112.995 0.739 . . . . 2.95 112.995 -169.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.49 ' HG2' HD23 ' A' 2118 ' ' LEU . 73.4 Cg_endo -91.85 126.31 0.91 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.016 2.477 . . . . 1.1 111.883 172.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.58 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 40.1 Cg_endo -67.59 -9.4 25.28 Favored 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 122.192 1.928 . . . . 0.75 112.139 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . 0.419 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 2.7 p -101.35 2.36 39.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.604 . . . . 0.86 111.756 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.3 tm? -49.52 -69.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.7 112.034 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2099 ' ' ALA . 35.3 mm -77.37 -16.35 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.435 0.636 . . . . 0.5 110.244 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.7 m-30 -71.35 -37.71 71.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.685 -0.688 . . . . 3.49 110.441 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -95.94 -33.35 12.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.799 -0.637 . . . . 2.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -133.37 62.43 60.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 C-N-CA 120.522 -0.471 . . . . 0.71 111.848 -171.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -82.06 103.44 1.31 Allowed 'Trans proline' 0 N--CA 1.443 -1.45 0 CA-C-N 120.88 1.35 . . . . 0.43 111.201 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 142.22 0.45 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 114.942 -1.026 . . . . 0.5 108.641 172.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' 2084 ' ' SER . 35.3 Cg_exo -59.72 -55.63 1.62 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 121.837 1.691 . . . . 0.25 111.77 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 83.4 t60 -64.35 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.8 111.622 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.3 93.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.34 111.445 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.58 -37.45 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.64 110.962 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . . . . . . . . . 56.5 m -53.66 -43.87 69.17 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.164 0.507 . . . . 0.33 110.412 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -68.58 -50.08 54.45 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.187 -0.915 . . . . 2.22 110.752 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.526 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.3 t60 -57.53 -54.18 49.71 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.449 . . . . 0.59 110.568 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -36.29 80.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.516 -0.766 . . . . 0.48 110.948 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -61.66 -35.13 77.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.27 . . . . 0.67 110.435 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 7.4 m -73.82 -40.35 63.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.476 . . . . 0.74 110.566 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' 2135 ' ' ARG . 2.5 mmp_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 3.18 111.822 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.604 ' O ' HD13 ' A' 2063 ' ' LEU . 45.7 mt-30 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.454 0.168 . . . . 2.83 110.7 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.27 -39.41 75.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.705 -0.225 . . . . 1.38 111.172 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -57.42 -48.8 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.532 0.682 . . . . 1.97 109.944 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 93.8 m -54.29 -60.08 3.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.373 -1.285 . . . . 0.83 111.112 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' 2059 ' ' GLN . 6.7 mp -59.92 -37.41 79.37 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.783 -0.644 . . . . 0.92 112.303 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.92 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.37 110.941 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.8 m -86.89 -36.44 18.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.916 -0.584 . . . . 0.42 109.459 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.7 tp -58.01 -62.15 2.03 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.433 -0.803 . . . . 0.37 111.19 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -55.45 -38.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.961 -0.563 . . . . 0.64 111.281 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.15 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.391 -0.368 . . . . 0.29 110.56 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.47 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.55 -34.13 75.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.103 0.477 . . . . 0.29 110.427 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.634 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.29 -55.43 28.36 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.519 -0.764 . . . . 0.34 110.442 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.444 ' OG1' HD11 ' A' 2094 ' ' ILE . 6.4 t -69.56 -31.44 69.62 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.282 0.563 . . . . 0.38 110.843 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.513 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.55 -20.83 61.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.916 -0.584 . . . . 0.54 110.753 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 98.3 m -82.59 -40.27 21.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.445 -0.343 . . . . 0.6 111.077 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -66.47 -40.63 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.466 0.65 . . . . 0.78 109.856 -177.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.232 -0.895 . . . . 1.24 111.885 179.432 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 62.6 m . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.498 -0.556 . . . . 1.52 109.498 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.47 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 53.9 Cg_exo -55.0 -29.25 63.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.385 2.723 . . . . 0.7 112.779 -175.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.08 -22.65 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 2.96 110.854 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 39.8 t -110.44 17.76 20.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.788 -0.642 . . . . 1.7 111.301 -172.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' 2072 ' ' ALA . 6.9 mt -87.26 118.39 33.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.033 -0.417 . . . . 0.76 110.393 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.405 ' HB2' ' OG1' ' A' 2087 ' ' THR . 44.7 m -75.77 132.48 74.68 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.42 111.646 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.543 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 58.3 Cg_endo -70.08 -31.23 19.47 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.636 2.891 . . . . 0.36 113.133 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.77 -13.86 60.64 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.167 -0.47 . . . . 0.47 111.601 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' 2084 ' ' SER . 8.2 m -79.28 157.81 27.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.293 0.568 . . . . 0.39 110.692 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -100.13 147.78 25.31 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.307 -0.861 . . . . 0.32 109.535 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 10.3 m-85 -62.3 -27.15 68.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.48 110.057 176.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -54.16 30.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 2.91 109.767 171.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.08 -40.94 74.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.848 -1.069 . . . . 1.88 111.492 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.47 -20.47 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.526 0.565 . . . . 0.73 112.526 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.48 10.94 6.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.19 -1.005 . . . . 0.27 113.841 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -73.96 122.35 26.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.206 0.526 . . . . 0.28 111.636 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . 0.456 ' HB2' HD12 ' A' 2097 ' ' LEU . 48.7 m-20 -105.89 -164.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.947 -0.76 . . . . 1.07 108.947 173.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 1.2 p -74.75 -37.62 62.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.21 0.529 . . . . 0.85 111.478 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.655 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.6 -40.83 63.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.437 -0.801 . . . . 1.65 110.689 -176.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -80.51 -15.2 57.28 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.904 -0.589 . . . . 0.27 112.154 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.3 -44.39 97.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.028 0.442 . . . . 0.29 110.22 173.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -70.05 -39.4 75.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.4 110.038 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -59.58 -40.97 89.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.143 -0.481 . . . . 0.72 111.526 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.52 HD23 ' HB1' ' A' 2070 ' ' ALA . 1.4 tt -60.37 -54.55 44.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.65 110.497 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.574 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.1 ptt-85 -63.66 -33.14 74.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.542 -0.54 . . . . 2.43 109.542 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.435 HD22 ' HA ' ' A' 2101 ' ' GLU . 93.0 m-20 -55.14 -52.28 63.77 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.072 0.463 . . . . 0.48 110.028 174.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 24.9 m -60.1 -51.84 67.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.582 -0.735 . . . . 0.51 111.623 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 2102 ' ' LEU . 2.7 pp -72.9 -22.37 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.739 -0.384 . . . . 1.13 111.939 -176.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 97.0 m -73.35 -41.79 63.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.896 0.379 . . . . 0.81 110.131 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.275 -0.42 . . . . 2.81 110.534 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.11 -50.14 36.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 2.6 110.839 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.547 HG21 HD12 ' A' 2132 ' ' LEU . 17.5 p -70.17 -38.51 75.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.868 -0.605 . . . . 1.03 111.652 -174.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 100.2 -29.15 12.81 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.816 -0.707 . . . . 1.05 112.481 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.69 -173.14 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 1.45 111.116 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 34.0 t70 -105.45 131.3 53.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.176 -0.466 . . . . 1.18 111.469 -173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.44 142.85 41.45 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 2.95 110.66 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -67.66 151.94 78.58 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.374 2.716 . . . . 1.1 113.451 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.574 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 57.0 Cg_endo -70.87 -2.71 11.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.125 2.55 . . . . 0.75 111.94 176.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.1 p -100.43 3.46 43.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.364 -0.834 . . . . 0.86 109.789 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.6 OUTLIER -40.05 -64.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.392 -1.276 . . . . 0.7 112.783 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' 2099 ' ' ALA . 34.9 mm -80.58 -8.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.5 110.589 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -80.22 -40.34 27.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.807 -0.633 . . . . 3.49 109.964 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -86.51 -44.09 12.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 2.0 111.953 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -130.22 63.35 68.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.71 111.983 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -81.43 104.4 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 CA-C-N 120.899 1.357 . . . . 0.43 111.393 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.21 144.88 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.983 -1.008 . . . . 0.5 108.693 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 37.8 Cg_exo -59.21 -58.65 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 121.748 1.632 . . . . 0.25 111.755 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.634 ' O ' ' HB ' ' A' 2129 ' ' THR . 78.4 t60 -63.38 -38.03 89.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.957 -0.565 . . . . 0.8 111.653 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.95 84.77 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.181 -0.208 . . . . 0.34 111.41 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' 2128 ' ' LEU . 21.5 mt -60.82 -37.35 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.836 -0.346 . . . . 0.64 110.399 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.634 ' HB ' ' O ' ' A' 2126 ' ' HIS . 96.3 m -53.17 -42.71 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.33 110.451 174.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 2126 ' ' HIS . 21.0 mt-30 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.393 -0.822 . . . . 2.22 110.017 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.624 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.7 t60 -58.94 -54.8 43.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 0.59 110.72 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.547 HD12 HG21 ' A' 2110 ' ' THR . 3.6 mm? -62.29 -34.6 76.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.623 . . . . 0.48 111.362 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -64.84 -45.25 86.92 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.67 109.03 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 17.5 m -64.77 -17.28 64.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.982 -0.554 . . . . 0.74 111.477 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.6 mmp_? . . . . . 0 C--N 1.323 -0.557 0 O-C-N 121.341 -0.849 . . . . 3.18 111.721 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.68 ' O ' HD13 ' A' 2063 ' ' LEU . 59.5 mt-30 . . . . . 0 N--CA 1.448 -0.571 0 N-CA-C 110.137 -0.32 . . . . 2.83 110.137 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.61 -41.38 73.38 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 113.059 0.763 . . . . 1.38 113.059 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -58.8 -38.45 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.533 . . . . 1.97 110.452 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' 2059 ' ' GLN . 73.3 m -60.87 -58.4 8.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.555 -0.748 . . . . 0.83 110.762 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' 2059 ' ' GLN . 6.2 mp -57.73 -40.21 79.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.815 . . . . 0.92 111.988 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.47 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.906 0.384 . . . . 0.37 110.793 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 28.2 m -83.73 -37.09 23.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 0.42 109.618 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.3 tp -58.34 -62.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.39 -0.823 . . . . 0.37 110.97 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' 2063 ' ' LEU . 7.0 p -55.2 -39.4 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.64 111.326 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' 2071 ' ' THR . . . -60.04 -57.79 11.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.29 110.471 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.01 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.29 111.076 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.612 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.92 -54.1 43.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.914 -0.585 . . . . 0.34 110.773 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.401 HG22 ' O ' ' A' 2068 ' ' ALA . 5.8 t -70.81 -24.49 62.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 0.38 110.117 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.511 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.79 -19.88 61.94 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.703 -1.135 . . . . 0.54 110.696 174.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 43.8 m -91.0 -37.41 13.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.6 111.312 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -71.57 -46.69 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.177 0.513 . . . . 0.78 109.833 -178.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.664 -0.698 . . . . 1.24 111.064 176.73 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' 2081 ' ' GLU . 19.1 m . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 107.888 -1.153 . . . . 1.52 107.888 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.02 -19.69 69.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.788 2.325 . . . . 0.7 111.786 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . 0.45 ' HB3' HG22 ' A' 2079 ' ' THR . 39.1 tt0 -61.05 -34.93 75.65 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.138 -0.937 . . . . 2.96 111.18 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -89.34 1.92 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.987 -0.551 . . . . 1.7 110.872 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' 2072 ' ' ALA . 31.0 mt -88.76 114.36 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.152 -0.477 . . . . 0.76 110.338 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.52 ' HB2' ' OG1' ' A' 2087 ' ' THR . 14.6 m -83.69 131.83 50.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.42 110.185 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.531 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 38.1 Cg_endo -63.6 -30.5 70.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.516 2.811 . . . . 0.36 113.446 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -91.36 0.73 57.47 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.658 0.614 . . . . 0.47 112.658 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' 2084 ' ' SER . 3.0 m -87.14 145.7 26.32 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.349 -0.54 . . . . 0.39 110.259 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -84.31 137.37 33.48 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.518 -0.764 . . . . 0.32 109.681 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.401 ' O ' ' HB ' ' A' 2094 ' ' ILE . 12.3 m-85 -53.37 -29.25 33.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.888 -0.596 . . . . 0.48 111.853 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -48.29 69.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.165 0.507 . . . . 2.91 109.891 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.61 -35.57 77.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.88 111.539 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.68 -22.1 64.4 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 121.116 -0.234 . . . . 0.73 111.484 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.41 9.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.114 -1.041 . . . . 0.27 112.572 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' 2089 ' ' PHE . 28.3 mm -64.22 124.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.873 0.368 . . . . 0.28 111.208 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -99.28 -165.51 1.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.046 -0.724 . . . . 1.07 109.046 173.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -19.77 54.48 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.662 -0.866 . . . . 0.85 108.662 171.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.734 ' O ' ' HG ' ' A' 2100 ' ' LEU . 27.5 mt -73.35 -60.15 2.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.269 -1.332 . . . . 1.65 110.727 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -8.02 54.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.831 -0.622 . . . . 0.27 111.88 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -67.26 -43.76 81.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.29 110.36 174.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -69.87 -37.22 76.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.748 -0.381 . . . . 0.4 110.087 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.56 ' N ' HD12 ' A' 2100 ' ' LEU . 7.6 mm-40 -59.6 -40.51 87.72 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.72 111.288 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.5 OUTLIER -61.4 -47.52 85.43 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.262 -0.426 . . . . 0.65 110.001 176.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' 2099 ' ' ALA . 25.5 mtm-85 -59.09 -46.05 89.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.738 -0.467 . . . . 2.43 109.738 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.409 HD22 ' HA ' ' A' 2101 ' ' GLU . 96.1 m-20 -50.39 -47.31 56.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.77 -0.65 . . . . 0.48 110.659 176.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 9.9 m -68.31 -46.25 70.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.612 -0.722 . . . . 0.51 110.743 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.2 mt -63.48 -45.51 90.43 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.154 -0.475 . . . . 1.13 111.34 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 26.3 m -56.52 -44.2 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.219 0.533 . . . . 0.81 110.87 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 82.7 t60 -68.22 -22.62 64.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.668 -0.696 . . . . 2.81 111.231 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -102.29 -13.05 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.374 0.509 . . . . 2.6 112.374 -174.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 49.9 p -103.38 -16.37 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.289 0.566 . . . . 1.03 111.072 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 90.32 -33.32 4.58 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.73 -0.668 . . . . 1.05 113.554 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' 2112 ' ' LEU . 0.3 OUTLIER -104.8 -178.65 3.72 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.237 0.541 . . . . 1.45 111.909 -178.249 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.25 156.59 31.34 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.944 -1.025 . . . . 1.18 110.949 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.5 tp -140.54 133.52 14.74 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.197 -0.456 . . . . 2.95 109.982 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.563 ' O ' ' HB2' ' A' 2118 ' ' LEU . 51.8 Cg_endo -70.23 149.8 64.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.019 2.479 . . . . 1.1 113.093 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.5 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 56.5 Cg_endo -70.92 -8.25 23.21 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.996 2.464 . . . . 0.75 112.431 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 9.9 p -100.24 4.72 44.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.111 -0.495 . . . . 0.86 110.384 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.32 -65.05 0.51 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.026 -0.988 . . . . 0.7 112.463 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.433 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 35.8 mm -77.39 -28.14 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.206 0.527 . . . . 0.5 110.311 -177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.27 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.724 -0.671 . . . . 3.49 110.582 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 7.3 t0 -82.67 -49.3 9.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.118 -0.946 . . . . 2.0 111.803 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 2.8 m-70 -125.02 65.93 49.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.6 -0.44 . . . . 0.71 111.975 -170.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.38 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 CA-C-N 120.664 1.273 . . . . 0.43 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.71 143.97 0.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.35 -0.981 . . . . 0.5 108.35 172.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.531 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.2 Cg_exo -58.08 -59.13 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 121.715 1.61 . . . . 0.25 111.477 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.58 ' O ' ' HB ' ' A' 2129 ' ' THR . 70.4 t60 -66.13 -32.48 73.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.8 112.226 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.82 72.12 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.794 -0.363 . . . . 0.34 110.938 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' 2128 ' ' LEU . 29.2 mt -61.27 -36.22 79.44 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.911 -0.316 . . . . 0.64 110.246 171.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' 2126 ' ' HIS . 52.9 m -52.96 -37.19 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.33 110.68 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' 2126 ' ' HIS . 37.0 mt-30 -71.54 -45.4 62.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.525 -0.761 . . . . 2.22 110.124 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 63.5 t60 -66.07 -45.17 82.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.59 110.614 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' 2135 ' ' ARG . 3.2 mm? -73.18 -20.5 60.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.358 -0.383 . . . . 0.48 111.023 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -71.6 -29.88 65.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.415 -0.587 . . . . 0.67 109.415 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 25.9 m -69.56 -43.06 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.74 109.594 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.459 ' HG3' HD13 ' A' 2132 ' ' LEU . 26.4 mmm180 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 3.18 109.966 176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.548 ' O ' HD13 ' A' 2063 ' ' LEU . 50.5 mt-30 . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.543 0.211 . . . . 2.83 110.674 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -49.77 -43.11 48.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.047 0.758 . . . . 1.38 113.047 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.01 -36.95 75.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.994 -0.682 . . . . 1.97 110.931 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 55.2 m -58.61 -57.9 10.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.83 110.665 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.609 ' O ' HG12 ' A' 2067 ' ' VAL . 7.7 mp -57.55 -40.05 78.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.626 -0.715 . . . . 0.92 111.37 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.45 69.94 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.389 0.431 . . . . 0.37 110.753 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 67.7 m -79.16 -34.85 42.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.286 0.565 . . . . 0.42 109.546 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 14.1 tp -62.83 -64.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.37 110.807 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' 2063 ' ' LEU . 7.6 p -54.86 -39.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.64 111.355 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.58 -56.47 21.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.507 -0.315 . . . . 0.29 110.511 174.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.435 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -60.15 -34.43 73.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.899 0.38 . . . . 0.29 110.186 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.19 -56.18 23.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.479 -0.782 . . . . 0.34 110.782 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.477 ' OG1' HD11 ' A' 2094 ' ' ILE . 9.9 t -68.31 -29.66 68.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.205 0.526 . . . . 0.38 110.955 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.832 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -73.31 -19.11 61.11 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.638 -0.71 . . . . 0.54 110.779 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 39.5 m -84.99 -31.85 23.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.285 -0.416 . . . . 0.6 110.643 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -73.08 -37.71 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.437 0.637 . . . . 0.78 109.547 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.437 HD21 HD13 ' A' 2094 ' ' ILE . 74.6 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.314 -0.857 . . . . 1.24 111.257 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.426 ' O ' HG13 ' A' 2083 ' ' ILE . 28.1 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.369 -0.975 . . . . 1.52 108.369 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 17.1 Cg_exo -67.01 -16.57 49.81 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.37 2.047 . . . . 0.7 111.156 -175.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . 0.411 ' HB3' HG22 ' A' 2079 ' ' THR . 32.7 tt0 -68.2 -44.19 76.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.652 -1.158 . . . . 2.96 111.325 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 59.5 p -77.53 -18.27 57.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.7 110.932 -173.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.8 mt -67.93 97.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.046 -0.979 . . . . 0.76 110.495 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.511 ' HB2' ' OG1' ' A' 2087 ' ' THR . 15.6 m -79.17 131.67 65.44 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.645 -0.707 . . . . 0.42 111.03 -175.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.553 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 30.7 Cg_endo -62.22 -32.06 82.46 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.651 2.9 . . . . 0.36 113.16 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.93 -15.42 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.47 111.561 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.529 ' O ' HG22 ' A' 2124 ' ' THR . 2.6 m -84.92 148.95 25.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.186 0.517 . . . . 0.39 110.513 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.404 ' HA ' HG22 ' A' 2124 ' ' THR . . . -86.78 143.57 27.46 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.238 -0.892 . . . . 0.32 110.005 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.419 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 14.2 m-85 -52.79 -32.22 42.72 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.44 0.462 . . . . 0.48 110.824 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -49.67 -61.11 2.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.634 0.731 . . . . 2.91 110.503 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.492 ' HB2' HG22 ' A' 2087 ' ' THR . 12.6 m-20 -59.86 -34.69 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.307 -1.315 . . . . 1.88 111.868 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.8 OUTLIER -67.48 -22.17 65.48 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.048 -0.261 . . . . 0.73 111.652 179.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.71 -7.19 7.86 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.642 -0.79 . . . . 0.27 112.558 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.477 HD11 ' OG1' ' A' 2071 ' ' THR . 27.9 mm -63.09 126.61 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.28 112.036 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -103.91 -166.84 1.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.427 -0.953 . . . . 1.07 108.427 171.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -72.86 -31.57 64.83 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.69 0.757 . . . . 0.85 109.468 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' 2100 ' ' LEU . 21.9 mt -63.08 -59.87 4.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.593 -1.185 . . . . 1.65 110.785 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.429 ' HB ' HG23 ' A' 2074 ' ' VAL . 1.2 p -74.0 -9.86 59.06 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.247 -0.888 . . . . 0.27 112.626 -176.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.54 -41.86 97.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.428 . . . . 0.29 110.443 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -75.43 -34.25 60.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.238 -0.437 . . . . 0.4 110.771 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -61.36 -37.43 83.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.72 111.087 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' 2071 ' ' THR . 0.6 OUTLIER -63.9 -50.1 70.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.548 -0.538 . . . . 0.65 109.548 175.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.732 ' HG2' HD12 ' A' 2118 ' ' LEU . 42.2 mtm105 -54.05 -45.27 71.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.214 -0.903 . . . . 2.43 109.46 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -53.15 -49.69 66.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.519 -0.764 . . . . 0.48 111.111 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 34.9 m -63.56 -55.71 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 0.51 112.418 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' 2102 ' ' LEU . 1.9 pp -68.27 -20.3 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.808 -0.357 . . . . 1.13 111.913 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.551 ' OG1' ' HG ' ' A' 2114 ' ' LEU . 91.6 m -73.56 -33.03 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.059 0.457 . . . . 0.81 110.49 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.19 -18.74 61.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.312 0.577 . . . . 2.81 109.937 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -93.16 -21.19 19.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 2.6 111.491 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 9.7 p -103.34 -41.63 5.97 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.91 -0.316 . . . . 1.03 111.775 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.7 73.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 1.05 112.489 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.88 -171.07 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.802 0.334 . . . . 1.45 110.821 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -112.21 116.68 30.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.96 -0.564 . . . . 1.18 110.654 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' 2103 ' ' ARG . 0.0 OUTLIER -99.21 161.63 24.08 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.428 -0.806 . . . . 2.95 111.641 -170.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -91.85 147.56 3.22 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.795 2.997 . . . . 1.1 113.19 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.521 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 40.9 Cg_endo -68.91 -2.43 9.54 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.64 2.227 . . . . 0.75 111.892 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 6.4 p -95.38 -0.81 52.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.87 -0.605 . . . . 0.86 112.209 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.732 HD12 ' HG2' ' A' 2103 ' ' ARG . 4.9 mt -40.3 -70.41 0.1 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.954 0.724 . . . . 0.7 112.954 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 10.6 mm -83.22 -1.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.786 0.803 . . . . 0.5 110.208 -172.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.39 -49.17 7.11 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.41 -0.814 . . . . 3.49 110.064 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -98.14 -37.53 9.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 2.0 111.565 -173.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -120.29 44.2 0.66 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 118.828 -0.606 . . . . 0.71 112.544 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' 2124 ' ' THR . 63.8 Cg_endo -82.32 106.53 1.56 Allowed 'Trans proline' 0 N--CA 1.446 -1.31 0 CA-C-N 121.258 1.485 . . . . 0.43 113.09 -175.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.676 HG23 ' O ' ' A' 2123 ' ' PRO . 5.9 p -176.45 160.77 1.75 Allowed Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 105.026 -2.213 . . . . 0.5 105.026 163.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' 2067 ' ' VAL . 31.9 Cg_exo -56.74 -36.41 98.45 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 CA-C-N 120.583 1.244 . . . . 0.25 110.63 172.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 82.8 t60 -77.59 -50.58 12.24 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.709 -0.678 . . . . 0.8 112.339 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.748 0.308 . . . . 0.34 111.186 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.526 HD11 HD13 ' A' 2118 ' ' LEU . 6.0 tp -67.46 -39.25 85.33 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.811 0.339 . . . . 0.64 110.159 176.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' 2063 ' ' LEU . 32.9 m -54.64 -45.45 73.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.738 -0.664 . . . . 0.33 110.984 174.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' 2126 ' ' HIS . 7.2 mm100 -56.29 -45.76 80.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.774 -0.648 . . . . 2.22 111.203 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.42 -49.62 73.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.217 -0.447 . . . . 0.59 110.771 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.7 mm? -70.03 -24.44 63.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.016 -0.538 . . . . 0.48 111.397 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -70.72 -36.33 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.67 109.476 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -29.94 68.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.68 -0.691 . . . . 0.74 109.932 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.433 ' HG3' HD13 ' A' 2132 ' ' LEU . 7.9 mmm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 3.18 110.591 175.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.67 ' O ' HD13 ' A' 2063 ' ' LEU . 8.2 mm100 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 120.012 -0.042 . . . . 2.83 110.983 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -58.91 -42.28 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.657 -0.417 . . . . 1.38 111.866 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.4 -39.55 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.121 -0.632 . . . . 1.97 110.275 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 90.4 m -56.46 -60.27 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.674 . . . . 0.83 110.813 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.67 HD13 ' O ' ' A' 2059 ' ' GLN . 5.2 mp -59.37 -37.55 78.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.818 -0.628 . . . . 0.92 112.216 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.8 -32.43 74.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.117 0.484 . . . . 0.37 110.739 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 29.4 m -82.75 -34.64 27.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.272 -0.64 . . . . 0.42 109.272 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 12.7 tp -57.67 -60.83 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.36 -0.836 . . . . 0.37 110.801 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.503 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.2 p -55.48 -42.22 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.951 -0.568 . . . . 0.64 111.399 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.9 61.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.322 -0.399 . . . . 0.29 110.737 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.493 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.99 -29.37 70.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.766 0.317 . . . . 0.29 110.532 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.691 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.3 -62.52 1.63 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.581 -0.525 . . . . 0.34 109.581 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.522 ' HB ' HD11 ' A' 2102 ' ' LEU . 12.1 t -64.36 -34.27 77.77 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.295 0.569 . . . . 0.38 110.946 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -66.85 -27.6 67.67 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.627 -0.715 . . . . 0.54 110.957 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 52.9 m -90.81 -34.19 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.059 0.392 . . . . 0.6 112.059 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.35 -35.44 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.882 -0.784 . . . . 0.78 108.882 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.496 HD23 HG21 ' A' 2098 ' ' THR . 60.9 mt . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 114.353 -1.294 . . . . 1.24 111.102 173.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.706 -0.479 . . . . 1.52 109.706 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.493 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 61.6 Cg_exo -53.92 -34.23 75.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.412 2.741 . . . . 0.7 112.762 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.52 -25.65 67.42 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.147 -0.479 . . . . 2.96 111.109 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 17.2 t -102.07 19.24 18.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.138 -0.483 . . . . 1.7 111.023 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.8 mt -89.56 117.74 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.116 0.484 . . . . 0.76 110.569 175.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.8 m -75.74 131.33 76.9 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.42 111.26 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.487 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.2 Cg_endo -66.16 -30.58 46.38 Favored 'Trans proline' 0 N--CA 1.471 0.183 0 C-N-CA 123.79 2.993 . . . . 0.36 113.918 -172.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.46 -3.42 57.67 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.766 0.654 . . . . 0.47 112.766 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.4 m -84.37 150.49 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.632 0.73 . . . . 0.39 111.048 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.29 136.03 33.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.968 -1.015 . . . . 0.32 109.457 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 29.8 m-85 -52.47 -29.7 26.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.48 111.979 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' 2091 ' ' ASP . 9.9 ttpt -51.08 -57.8 7.74 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.465 0.478 . . . . 2.91 110.849 172.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.413 ' N ' ' HG2' ' A' 2090 ' ' LYS . 16.6 t70 -54.26 -39.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 1.88 112.095 177.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.0 OUTLIER -69.01 -21.16 64.15 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.712 0.264 . . . . 0.73 111.712 -178.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.12 6.41 5.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.716 -0.754 . . . . 0.27 112.657 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.502 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 46.1 mm -84.09 138.86 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.959 0.409 . . . . 0.28 111.828 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' A' 2096 ' ' SER . 26.8 t0 -139.32 -163.51 1.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.462 -0.94 . . . . 1.07 108.462 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . 0.47 ' H ' ' CG ' ' A' 2095 ' ' ASP . 0.2 OUTLIER -55.24 -36.86 66.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.35 0.595 . . . . 0.85 111.763 -175.234 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.707 ' O ' ' HG ' ' A' 2100 ' ' LEU . 15.9 tp -63.87 -60.27 3.49 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.819 -1.082 . . . . 1.65 111.78 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.496 HG21 HD23 ' A' 2075 ' ' LEU . 8.3 p -82.17 -12.26 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.94 -0.573 . . . . 0.27 112.372 -174.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' 2119 ' ' ILE . . . -60.78 -37.54 82.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.922 0.392 . . . . 0.29 110.054 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -76.2 -38.62 56.26 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.429 -0.508 . . . . 0.4 110.057 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.418 ' N ' HD12 ' A' 2100 ' ' LEU . 5.7 mm-40 -63.75 -43.78 95.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.9 0.381 . . . . 0.72 111.168 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.522 HD11 ' HB ' ' A' 2071 ' ' THR . 1.3 tt -56.65 -55.78 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.054 -0.521 . . . . 0.65 110.135 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -53.33 -43.96 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.877 -0.601 . . . . 2.43 110.943 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.4 m-20 -51.14 -51.22 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.48 110.656 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.1 m -62.1 -44.62 96.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.51 110.6 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' 2102 ' ' LEU . 82.2 mt -60.46 -40.75 92.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 1.13 110.684 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.8 m -65.3 -45.77 83.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.355 -0.839 . . . . 0.81 110.969 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 39.7 m170 -72.97 -24.0 60.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.858 -0.61 . . . . 2.81 111.712 -174.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.43 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.2 t30 -69.13 -46.3 67.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 2.6 111.289 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 1.4 p -88.29 -39.78 14.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.101 0.408 . . . . 1.03 112.101 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 113.0 -13.58 24.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.44 -0.886 . . . . 1.05 112.447 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' 2112 ' ' LEU . 1.2 pp -78.02 -170.07 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.614 0.245 . . . . 1.45 110.565 177.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -122.65 133.42 54.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 1.18 110.054 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.31 140.93 24.21 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.876 0.369 . . . . 2.95 111.304 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.562 ' O ' ' HB2' ' A' 2118 ' ' LEU . 37.2 Cg_endo -67.88 147.96 75.66 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.176 2.584 . . . . 1.1 112.135 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.51 -8.82 11.66 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.204 2.603 . . . . 0.75 112.456 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . 0.518 ' HB ' ' OD2' ' A' 2121 ' ' ASP . 2.8 p -96.63 3.89 52.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.629 . . . . 0.86 110.549 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -44.07 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.7 112.083 176.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' 2099 ' ' ALA . 41.7 mm -76.31 -19.36 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.681 0.753 . . . . 0.5 109.777 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . 0.428 ' HB3' ' HA ' ' A' 2117 ' ' THR . 26.9 t80 -63.11 -48.37 78.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.858 -1.065 . . . . 3.49 110.154 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . 0.518 ' OD2' ' HB ' ' A' 2117 ' ' THR . 6.0 m-20 -87.45 -42.68 12.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 2.0 112.531 -175.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -124.98 62.79 37.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 120.113 -0.635 . . . . 0.71 112.146 -170.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -81.82 104.76 1.46 Allowed 'Trans proline' 0 N--CA 1.442 -1.503 0 CA-C-N 120.512 1.218 . . . . 0.43 111.119 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.63 142.58 0.48 Allowed Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 124.487 1.115 . . . . 0.5 108.348 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' 2085 ' ' PRO . 40.1 Cg_exo -57.69 -54.65 3.1 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.737 1.625 . . . . 0.25 111.902 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.509 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.4 t60 -66.91 -38.31 85.99 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.159 -0.473 . . . . 0.8 111.581 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.6 91.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.37 -0.377 . . . . 0.34 111.261 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.64 110.704 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' 2126 ' ' HIS . 97.3 m -55.37 -51.13 67.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.186 0.517 . . . . 0.33 110.392 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.27 -39.7 94.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.32 -0.855 . . . . 2.22 110.532 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' 2135 ' ' ARG . 86.3 t60 -60.32 -59.97 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.59 110.383 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.51 -31.48 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.48 111.292 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.84 -52.6 49.08 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.692 -0.484 . . . . 0.67 109.692 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 30.1 m -56.67 -40.75 76.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.74 111.295 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.692 ' HG2' ' O ' ' A' 2131 ' ' HIS . 1.8 mmp_? . . . . . 0 C--N 1.33 -0.279 0 N-CA-C 112.404 0.52 . . . . 3.18 112.404 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.487 ' O ' HD13 ' A' 2063 ' ' LEU . 5.5 mm100 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 111.441 0.163 . . . . 2.83 111.441 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.72 -18.41 42.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.865 0.32 . . . . 1.38 111.865 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -81.57 -60.37 2.28 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.167 -0.679 . . . . 1.97 109.167 172.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 96.9 m -47.43 -57.67 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.189 -1.368 . . . . 0.83 111.518 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' 2067 ' ' VAL . 2.7 mp -59.82 -46.86 87.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.92 111.786 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -59.25 -32.69 70.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.851 0.358 . . . . 0.37 111.312 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 6.4 m -82.69 -37.49 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.349 -0.612 . . . . 0.42 109.349 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.67 -63.76 1.19 Allowed 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.062 -0.972 . . . . 0.37 111.042 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -50.89 -41.34 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.64 111.311 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.07 6.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.785 -0.643 . . . . 0.29 111.086 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.711 0.291 . . . . 0.29 111.329 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' 2074 ' ' VAL . . . -66.54 -52.78 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.34 110.44 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.453 ' OG1' HD11 ' A' 2094 ' ' ILE . 14.5 t -71.39 -28.3 63.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.912 0.863 . . . . 0.38 109.924 -175.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -68.25 -16.97 64.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.545 -1.207 . . . . 0.54 110.67 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 40.9 m -90.77 -35.24 14.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.408 -0.36 . . . . 0.6 111.185 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -75.42 -37.06 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.51 0.671 . . . . 0.78 110.194 -177.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.491 HD21 HD13 ' A' 2094 ' ' ILE . 62.8 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.205 -0.907 . . . . 1.24 111.48 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 108.117 -1.068 . . . . 1.52 108.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.8 -15.06 36.75 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 122.507 2.138 . . . . 0.7 110.643 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.2 -33.88 77.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.151 -1.386 . . . . 2.96 110.658 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 30.3 t -85.36 -5.2 59.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.044 -0.98 . . . . 1.7 110.707 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.434 HD13 ' CG2' ' A' 2071 ' ' THR . 29.2 mt -86.67 94.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.185 0.517 . . . . 0.76 110.06 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.432 ' HB2' ' OG1' ' A' 2087 ' ' THR . 17.3 m -79.09 135.83 58.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.557 -0.747 . . . . 0.42 110.853 -176.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.46 -29.7 44.71 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.629 2.886 . . . . 0.36 113.522 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.46 -19.08 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.424 -0.353 . . . . 0.47 111.454 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.9 m -80.5 156.39 26.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.296 0.57 . . . . 0.39 110.603 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.48 ' O ' HD22 ' A' 2092 ' ' LEU . . . -95.02 146.33 24.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.613 -0.721 . . . . 0.32 110.481 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.527 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 19.6 m-85 -55.71 -28.55 56.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.48 111.051 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -47.01 -62.77 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.955 0.883 . . . . 2.91 110.566 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.12 -28.14 67.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.025 -1.443 . . . . 1.88 111.909 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' 2088 ' ' ALA . 0.1 OUTLIER -73.36 -21.48 60.52 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.967 -0.293 . . . . 0.73 111.706 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.57 2.78 8.04 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.096 -1.049 . . . . 0.27 113.523 174.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 23.9 mm -73.83 128.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.068 0.461 . . . . 0.28 112.215 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -112.31 -164.2 0.9 Allowed 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.51 -0.922 . . . . 1.07 108.51 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -33.83 66.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.007 -0.677 . . . . 0.85 110.579 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' 2100 ' ' LEU . 14.1 mt -62.29 -48.17 81.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.37 -0.832 . . . . 1.65 110.336 -177.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.0 p -86.81 -11.64 50.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.059 -0.973 . . . . 0.27 112.229 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' 2119 ' ' ILE . . . -64.11 -41.45 97.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.071 0.462 . . . . 0.29 109.83 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' 2101 ' ' GLU . 3.7 pp -73.27 -39.06 65.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.193 -0.458 . . . . 0.4 110.24 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.479 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -60.37 -42.75 96.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.967 0.413 . . . . 0.72 111.345 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.8 tp -62.57 -50.67 70.38 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 116.011 -0.541 . . . . 0.65 110.67 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.426 ' HD2' ' O ' ' A' 2115 ' ' PRO . 37.8 ttp180 -57.99 -40.62 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.058 -0.519 . . . . 2.43 110.739 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.459 HD22 ' HA ' ' A' 2101 ' ' GLU . 80.5 m-20 -50.52 -49.42 55.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.072 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' 2109 ' ' ASN . 18.0 m -68.25 -45.21 73.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.51 110.371 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.6 mt -57.37 -43.83 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 1.13 111.217 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' 2114 ' ' LEU . 27.5 m -64.58 -46.78 81.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.81 111.004 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 83.4 t60 -72.74 -33.12 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 2.81 111.373 -176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' 2105 ' ' THR . 2.7 t-20 -72.11 -35.67 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 2.6 111.068 -175.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 22.6 p -88.78 -39.82 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.479 -0.328 . . . . 1.03 111.385 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 111.01 -26.95 11.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.63 -0.795 . . . . 1.05 112.261 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' 2135 ' ' ARG . 95.4 mt -77.25 -175.15 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.316 0.579 . . . . 1.45 111.311 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -112.27 124.62 52.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.329 -0.851 . . . . 1.18 110.885 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.483 HD11 HD11 ' A' 2132 ' ' LEU . 2.6 mp -106.23 138.56 19.73 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.836 -0.62 . . . . 2.95 110.907 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.524 ' O ' ' HB2' ' A' 2118 ' ' LEU . 19.3 Cg_endo -65.56 145.77 82.96 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.043 2.495 . . . . 1.1 111.552 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.23 -13.77 25.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.038 2.492 . . . . 0.75 112.672 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.7 p -100.51 5.73 44.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.458 -0.337 . . . . 0.86 111.399 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.7 tm? -36.19 -67.09 0.18 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.7 113.114 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' 2099 ' ' ALA . 30.3 mm -74.73 -17.94 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.5 110.493 -177.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -74.86 -41.64 59.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.635 -0.711 . . . . 3.49 110.336 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.66 -46.54 15.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 2.0 111.604 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.17 65.84 58.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 C-N-CA 120.798 -0.361 . . . . 0.71 111.494 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -80.59 104.96 1.65 Allowed 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-N 120.398 1.178 . . . . 0.43 110.958 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.02 146.27 0.66 Allowed Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 114.779 -1.101 . . . . 0.5 108.816 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.29 -57.06 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 121.838 1.692 . . . . 0.25 112.545 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.596 ' O ' ' HB ' ' A' 2129 ' ' THR . 83.1 t60 -71.34 -36.07 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.332 . . . . 0.8 111.514 -175.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.11 94.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.595 -0.275 . . . . 0.34 111.343 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.27 -39.06 78.22 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.6 0.238 . . . . 0.64 110.612 173.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -53.58 -47.22 70.31 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.33 110.596 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.712 -0.676 . . . . 2.22 111.486 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.464 ' O ' ' HG2' ' A' 2135 ' ' ARG . 45.7 t60 -59.47 -56.85 16.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.924 0.393 . . . . 0.59 110.407 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.483 HD11 HD11 ' A' 2114 ' ' LEU . 3.7 mm? -64.24 -30.61 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.48 110.978 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.28 -42.99 99.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.67 110.151 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 23.9 m -70.17 -35.09 73.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.301 -0.409 . . . . 0.74 110.486 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.2 mmp_? . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.184 -0.462 . . . . 3.18 111.895 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.632 ' O ' HD13 ' A' 2063 ' ' LEU . 77.1 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.549 -0.167 . . . . 2.83 110.549 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -47.67 -38.21 14.51 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.485 0.55 . . . . 1.38 112.485 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -64.65 -57.33 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.25 0.547 . . . . 1.97 110.43 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 33.9 m -55.31 -53.85 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.242 -0.89 . . . . 0.83 111.256 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -57.76 -41.6 82.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.239 0.615 . . . . 0.92 112.052 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.65 71.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.161 0.505 . . . . 0.37 110.909 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 14.0 m -87.61 -33.97 18.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.42 109.741 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.75 -63.75 1.14 Allowed 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.421 -0.809 . . . . 0.37 110.793 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 2063 ' ' LEU . 5.9 p -54.76 -39.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.072 -0.513 . . . . 0.64 111.215 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.511 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -60.55 -52.08 66.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.29 110.943 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.18 -27.45 64.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.389 . . . . 0.29 110.986 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' 2074 ' ' VAL . . . -65.65 -55.36 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.34 110.6 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.49 ' CG2' HD12 ' A' 2083 ' ' ILE . 7.3 t -65.74 -27.42 68.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.444 0.64 . . . . 0.38 110.242 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -75.57 -19.64 59.15 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.028 -0.987 . . . . 0.54 110.733 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.7 m -83.08 -40.08 20.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.205 -0.452 . . . . 0.6 110.706 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.41 -40.33 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.78 110.01 -177.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.678 -0.692 . . . . 1.24 111.024 177.51 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' 2081 ' ' GLU . 10.6 m . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 108.209 -1.034 . . . . 1.52 108.209 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.446 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 36.8 Cg_exo -62.29 -19.17 66.11 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.175 2.584 . . . . 0.7 111.988 -173.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . 0.437 ' HB3' HG22 ' A' 2079 ' ' THR . 31.7 tt0 -63.33 -27.97 69.68 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 115.272 -0.876 . . . . 2.96 111.084 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 29.1 t -94.64 -0.53 54.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.838 -0.619 . . . . 1.7 111.137 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.627 HD11 ' HB2' ' A' 2072 ' ' ALA . 6.2 mm -78.91 100.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 110.082 -0.34 . . . . 0.76 110.082 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -78.78 123.89 85.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.179 0.514 . . . . 0.42 110.837 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.86 -33.57 63.83 Favored 'Trans proline' 0 N--CA 1.472 0.209 0 C-N-CA 123.629 2.886 . . . . 0.36 113.533 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.0 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.389 -0.369 . . . . 0.47 111.824 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.2 m -78.22 152.49 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.238 0.542 . . . . 0.39 110.707 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -91.31 141.69 28.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.543 -0.753 . . . . 0.32 109.528 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.431 ' O ' ' HB ' ' A' 2094 ' ' ILE . 13.1 m-85 -55.24 -28.57 54.21 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.136 0.272 . . . . 0.48 111.504 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -57.87 -33.87 69.16 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.37 0.605 . . . . 2.91 110.844 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -90.23 -29.13 18.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.219 -0.9 . . . . 1.88 111.192 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.7 OUTLIER -65.33 -22.26 66.8 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.079 -0.248 . . . . 0.73 111.502 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.92 -1.48 8.47 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.293 -0.956 . . . . 0.27 111.793 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' 2089 ' ' PHE . 33.2 mm -70.88 126.7 31.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.966 0.412 . . . . 0.28 111.577 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -107.78 -170.25 1.66 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.78 -1.193 . . . . 1.07 107.78 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -21.83 60.09 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.447 -1.301 . . . . 0.85 109.451 175.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' 2100 ' ' LEU . 28.2 mt -64.52 -55.36 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.866 -1.061 . . . . 1.65 110.111 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.61 -12.32 58.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.356 -0.838 . . . . 0.27 112.05 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.84 -42.86 99.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 0.29 110.541 175.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' 2101 ' ' GLU . 3.6 pp -71.69 -38.48 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 0.4 110.33 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.559 ' N ' HD12 ' A' 2100 ' ' LEU . 6.2 mm-40 -59.14 -39.47 82.48 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.111 0.482 . . . . 0.72 110.688 176.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.6 OUTLIER -62.26 -49.86 74.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.095 -0.502 . . . . 0.65 110.404 176.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' 2099 ' ' ALA . 15.7 mtm180 -55.75 -43.4 76.61 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.226 0.536 . . . . 2.43 109.621 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.434 HD22 ' HA ' ' A' 2101 ' ' GLU . 96.0 m-20 -54.59 -42.33 70.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.966 -1.015 . . . . 0.48 111.355 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.6 m -75.56 -43.32 49.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.316 -0.402 . . . . 0.51 111.12 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' 2102 ' ' LEU . 81.0 mt -59.52 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.452 . . . . 1.13 110.837 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.626 HG23 ' O ' ' A' 2112 ' ' LEU . 12.4 m -66.18 -39.62 89.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.68 -0.691 . . . . 0.81 110.69 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -60.92 -29.19 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.832 -0.622 . . . . 2.81 111.095 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -85.11 -41.9 15.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.113 0.482 . . . . 2.6 111.097 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 67.6 p -89.51 -31.23 17.74 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.838 0.681 . . . . 1.03 112.838 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.09 0.66 89.19 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.324 -0.71 . . . . 1.05 111.324 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' 2107 ' ' THR . 23.1 mt -87.74 120.46 29.08 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.815 0.446 . . . . 1.45 110.959 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -54.01 142.23 25.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.638 -0.71 . . . . 1.18 110.538 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.495 HD22 ' C ' ' A' 2114 ' ' LEU . 0.0 OUTLIER -131.15 156.69 79.78 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.209 0.448 . . . . 2.95 112.209 -172.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' 2118 ' ' LEU . 40.6 Cg_endo -94.36 149.73 1.96 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.374 3.383 . . . . 1.1 112.433 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.06 -7.89 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.721 2.28 . . . . 0.75 112.167 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' 2120 ' ' PHE . 3.7 p -100.9 4.42 42.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.433 -0.803 . . . . 0.86 110.583 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.8 -66.53 0.36 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.522 -0.763 . . . . 0.7 112.144 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.28 -21.27 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.45 0.643 . . . . 0.5 110.189 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' 2117 ' ' THR . 9.3 t80 -60.52 -50.0 75.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.294 -0.866 . . . . 3.49 110.2 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.33 -45.0 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 2.0 112.077 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -125.93 68.43 63.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 C-N-CA 120.527 -0.469 . . . . 0.71 111.901 -171.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.61 103.87 1.41 Allowed 'Trans proline' 0 N--CA 1.442 -1.55 0 CA-C-N 120.604 1.251 . . . . 0.43 110.201 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.17 142.63 0.45 Allowed Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.991 -1.004 . . . . 0.5 108.949 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.425 ' O ' HG11 ' A' 2067 ' ' VAL . 34.9 Cg_exo -61.38 -56.43 0.86 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 121.683 1.588 . . . . 0.25 111.664 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . . . . . . . . . 78.0 t60 -61.39 -41.92 97.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.8 112.218 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.4 75.99 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.825 0.306 . . . . 0.34 111.825 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' 2128 ' ' LEU . 26.6 mt -63.74 -33.79 76.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.766 -0.374 . . . . 0.64 110.85 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.408 HG23 ' CB ' ' A' 2063 ' ' LEU . 66.0 m -54.62 -44.26 72.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.33 109.757 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -66.82 -45.01 79.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.961 -1.018 . . . . 2.22 110.382 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.7 t60 -61.26 -51.22 69.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.59 110.858 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 2112 ' ' LEU . 4.1 mm? -68.19 -28.28 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.829 -0.348 . . . . 0.48 110.617 -178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -67.9 -31.35 71.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.116 0.484 . . . . 0.67 110.628 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 23.8 m -69.57 -24.29 63.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.74 110.446 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.54 ' HB3' HD22 ' A' 2112 ' ' LEU . 10.8 mmm180 . . . . . 0 CA--C 1.531 0.246 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.692 -174.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.638 ' O ' HD13 ' A' 2063 ' ' LEU . 48.5 mt-30 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 109.434 -0.58 . . . . 2.83 109.434 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.07 -48.42 70.63 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.503 0.557 . . . . 1.38 112.503 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -61.7 -36.78 81.9 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.007 -0.677 . . . . 1.97 110.547 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 97.2 m -59.29 -60.35 4.0 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 0.83 110.732 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' 2059 ' ' GLN . 7.4 mp -57.69 -34.6 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.92 112.243 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.37 65.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.37 110.797 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 25.9 m -85.28 -35.67 21.36 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.014 -0.736 . . . . 0.42 109.014 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.423 HD22 ' ND2' ' A' 2109 ' ' ASN . 16.8 tp -56.95 -61.74 2.23 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.065 -0.971 . . . . 0.37 110.671 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -56.24 -39.51 60.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.146 -0.479 . . . . 0.64 111.561 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.27 -55.34 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 0.29 110.447 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.58 68.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.368 . . . . 0.29 110.609 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.69 -51.75 63.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.032 -0.531 . . . . 0.34 110.591 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.523 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.1 t -74.73 -22.36 58.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.405 0.621 . . . . 0.38 110.167 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -72.61 -20.03 61.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.261 -0.881 . . . . 0.54 110.396 173.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.1 m -84.43 -31.11 24.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 0.6 110.542 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -78.26 -45.01 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.05 0.452 . . . . 0.78 109.83 -179.066 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.6 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.818 -0.628 . . . . 1.24 110.576 176.713 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.0 -0.741 . . . . 1.52 109.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.478 ' HA ' HD12 ' A' 2083 ' ' ILE . 18.8 Cg_exo -67.01 -19.21 51.97 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.511 2.141 . . . . 0.7 111.436 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.39 -50.25 31.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.981 -1.008 . . . . 2.96 112.472 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.4 t -99.33 13.65 32.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 1.7 111.627 -171.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.523 HD13 ' CG2' ' A' 2071 ' ' THR . 25.5 mt -86.28 93.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 0.76 110.07 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 41.1 m -72.26 133.91 83.05 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.653 -0.703 . . . . 0.42 111.054 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 52.8 Cg_endo -66.91 -32.05 36.75 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 123.609 2.872 . . . . 0.36 113.782 -172.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.34 -3.13 58.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.1 0.408 . . . . 0.47 112.1 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.8 m -84.91 151.63 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.156 0.503 . . . . 0.39 110.216 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -88.32 139.49 30.44 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.414 -0.812 . . . . 0.32 109.75 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.436 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 17.0 m-85 -58.15 -23.67 56.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.612 -0.267 . . . . 0.48 111.094 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -47.01 -61.21 1.98 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.87 0.843 . . . . 2.91 110.154 167.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.34 -29.86 69.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.127 -1.397 . . . . 1.88 111.588 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -22.78 62.89 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.808 -0.357 . . . . 0.73 111.903 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.13 11.76 8.05 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.108 -1.044 . . . . 0.27 113.007 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.483 HD11 ' OG1' ' A' 2071 ' ' THR . 26.9 mm -80.44 128.89 38.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.479 . . . . 0.28 111.976 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -110.99 -165.87 1.03 Allowed 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.528 -0.916 . . . . 1.07 108.528 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.11 -39.95 75.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.46 0.647 . . . . 0.85 110.119 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' 2100 ' ' LEU . 37.6 tp -55.97 -53.82 52.26 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.523 -1.217 . . . . 1.65 111.357 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.3 p -81.79 -13.58 57.52 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.958 -0.565 . . . . 0.27 112.159 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.18 -45.72 90.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 0.29 109.897 174.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -71.26 -36.23 71.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.4 110.621 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' 2100 ' ' LEU . 9.1 mm-40 -60.41 -42.68 96.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.013 0.435 . . . . 0.72 111.367 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.0 OUTLIER -60.14 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.608 -0.516 . . . . 0.65 109.608 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -54.61 -40.63 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.538 -0.755 . . . . 2.43 111.08 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -53.54 -50.07 66.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.48 110.859 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.5 m -66.44 -42.04 88.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.51 110.934 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.507 HD11 HD13 ' A' 2128 ' ' LEU . 93.1 mt -63.14 -45.92 89.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.049 -0.523 . . . . 1.13 110.836 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.428 HG23 ' O ' ' A' 2112 ' ' LEU . 99.7 m -61.38 -48.67 80.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.267 -0.879 . . . . 0.81 110.808 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -68.24 -27.6 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.81 111.129 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.423 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.2 t30 -72.65 -40.83 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 2.6 110.923 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.6 p -85.38 -41.38 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.308 -0.406 . . . . 1.03 111.666 -175.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.46 -20.12 37.99 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.669 -0.777 . . . . 1.05 112.823 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' 2107 ' ' THR . 2.3 pp -86.27 -175.87 5.68 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.754 0.311 . . . . 1.45 110.499 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -106.06 138.69 41.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.182 -0.463 . . . . 1.18 110.845 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.503 HD11 HD11 ' A' 2132 ' ' LEU . 91.9 mt -121.38 139.61 29.96 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.615 -0.72 . . . . 2.95 110.105 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.506 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.7 Cg_endo -63.24 147.17 94.11 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.875 2.383 . . . . 1.1 111.75 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -62.15 -8.77 12.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.057 2.505 . . . . 0.75 112.358 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 5.6 p -100.95 3.38 41.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 0.86 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.6 tm? -36.71 -65.65 0.27 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.047 0.939 . . . . 0.7 112.709 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' 2099 ' ' ALA . 33.4 mm -76.56 -21.4 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.255 0.55 . . . . 0.5 110.741 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -69.66 -35.59 75.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.595 . . . . 3.49 110.195 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.45 -43.48 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 2.0 112.128 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -125.45 64.73 48.77 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-O 119.228 -0.415 . . . . 0.71 111.676 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -81.88 104.63 1.44 Allowed 'Trans proline' 0 N--CA 1.444 -1.417 0 CA-C-N 120.623 1.258 . . . . 0.43 110.953 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.7 138.39 0.4 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 114.797 -1.092 . . . . 0.5 108.501 171.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.51 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.7 Cg_exo -56.36 -57.24 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 121.835 1.69 . . . . 0.25 112.104 -175.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.619 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.0 t60 -67.55 -34.07 76.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.8 111.54 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.11 85.46 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.758 0.313 . . . . 0.34 110.957 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.507 HD13 HD11 ' A' 2106 ' ' LEU . 47.5 mt -60.06 -37.2 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.64 110.3 172.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.619 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -54.4 -44.25 72.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.33 110.409 174.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' 2126 ' ' HIS . 19.8 mt-30 -67.06 -47.41 71.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 2.22 109.815 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -58.61 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.936 -0.575 . . . . 0.59 110.907 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.503 HD11 HD11 ' A' 2114 ' ' LEU . 3.7 mm? -65.4 -28.63 69.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.037 -0.529 . . . . 0.48 111.252 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.84 -31.09 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.576 -0.45 . . . . 0.67 109.987 176.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 65.8 m -70.31 -41.03 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.74 109.95 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 121.97 0.891 . . . . 3.18 109.231 172.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.683 ' O ' HD13 ' A' 2063 ' ' LEU . 6.5 mm100 . . . . . 0 C--O 1.219 -0.506 0 N-CA-C 111.452 0.167 . . . . 2.83 111.452 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -57.47 -43.92 84.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.663 -0.415 . . . . 1.38 111.994 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.38 -39.29 88.98 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.276 -0.57 . . . . 1.97 110.441 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.1 m -57.89 -59.8 4.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.83 110.881 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -59.34 -37.73 78.57 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.232 0.613 . . . . 0.92 112.376 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.14 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.123 0.487 . . . . 0.37 110.735 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.2 m -86.39 -35.43 19.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 0.42 109.357 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 11.9 tp -58.88 -62.93 1.5 Allowed 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.303 -0.862 . . . . 0.37 111.034 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' 2063 ' ' LEU . 7.6 p -53.43 -41.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 123.289 0.368 . . . . 0.64 111.525 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' 2071 ' ' THR . . . -61.44 -55.07 35.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.406 . . . . 0.29 110.997 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.34 -36.48 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 0.29 110.477 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.681 ' O ' HG13 ' A' 2074 ' ' VAL . . . -58.17 -56.91 15.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.511 -0.768 . . . . 0.34 110.157 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.546 ' HB ' HD11 ' A' 2102 ' ' LEU . 8.7 t -65.08 -34.82 79.33 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.188 0.518 . . . . 0.38 110.821 -174.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.738 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -73.32 -20.12 60.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.038 -0.528 . . . . 0.54 111.053 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 85.5 m -86.48 -40.45 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.246 0.341 . . . . 0.6 111.619 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -64.06 -34.88 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.59 0.71 . . . . 0.78 109.23 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 114.974 -1.012 . . . . 1.24 111.326 174.838 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 45.2 m . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 108.548 -0.908 . . . . 1.52 108.548 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.425 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 37.2 Cg_exo -59.08 -23.43 68.85 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.815 2.343 . . . . 0.7 112.851 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.32 -28.6 68.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.245 0.545 . . . . 2.96 110.364 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 46.9 t -81.18 -16.47 52.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.376 -0.829 . . . . 1.7 110.991 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' 2072 ' ' ALA . 22.0 mt -68.91 118.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.391 -0.822 . . . . 0.76 111.181 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.433 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.5 m -81.78 131.25 58.0 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.716 -0.675 . . . . 0.42 110.875 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.528 ' O ' ' HD2' ' A' 2125 ' ' PRO . 50.6 Cg_endo -64.77 -27.3 59.89 Favored 'Trans proline' 0 N--CA 1.472 0.226 0 C-N-CA 123.74 2.96 . . . . 0.36 113.647 -175.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.68 7.39 39.68 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.917 0.71 . . . . 0.47 112.917 -177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.7 m -95.02 150.2 20.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.504 0.668 . . . . 0.39 111.573 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.17 135.25 34.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.125 -0.943 . . . . 0.32 109.683 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.519 ' HA ' HD23 ' A' 2092 ' ' LEU . 24.7 m-85 -53.07 -29.99 33.49 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.218 0.821 . . . . 0.48 113.218 -177.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . 0.658 ' HD2' ' H ' ' A' 2090 ' ' LYS . 0.0 OUTLIER -56.44 -44.26 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.603 . . . . 2.91 109.682 175.012 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.23 -36.35 83.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.834 -1.076 . . . . 1.88 111.04 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.0 OUTLIER -72.03 -20.5 61.68 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.623 -0.262 . . . . 0.73 111.427 -179.055 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.89 2.31 9.43 Favored Glycine 0 N--CA 1.454 -0.167 0 C-N-CA 120.48 -0.866 . . . . 0.27 112.482 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.488 HG13 ' HB3' ' A' 2089 ' ' PHE . 30.9 mm -68.23 131.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.898 0.38 . . . . 0.28 111.706 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -113.36 -161.62 0.77 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.897 -0.592 . . . . 1.07 109.569 174.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 15.6 p -64.03 -51.26 65.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.627 0.727 . . . . 0.85 111.187 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.808 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.6 mt -67.67 -53.97 23.4 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.575 -1.193 . . . . 1.65 111.003 -175.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -65.93 -16.25 63.7 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.613 -0.721 . . . . 0.27 112.329 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.471 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -65.17 -47.96 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.78 -0.452 . . . . 0.29 109.78 171.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.3 pp -68.29 -38.01 81.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.381 -0.528 . . . . 0.4 109.674 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.539 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -59.05 -45.25 91.24 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.873 0.368 . . . . 0.72 111.55 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.546 HD11 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -57.53 -55.44 34.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.34 -0.391 . . . . 0.65 110.59 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 40.8 ptt85 -63.34 -33.17 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.728 -0.389 . . . . 2.43 110.045 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.425 HD22 ' HA ' ' A' 2101 ' ' GLU . 79.4 m-20 -52.98 -48.06 67.72 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.347 0.594 . . . . 0.48 109.986 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' 2109 ' ' ASN . 17.8 m -63.92 -54.02 41.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.996 -1.002 . . . . 0.51 111.307 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' 2103 ' ' ARG . 2.2 pp -70.79 -24.23 62.54 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.874 -0.331 . . . . 1.13 111.872 -175.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.9 m -69.78 -53.44 18.31 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.293 0.568 . . . . 0.81 110.404 173.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.71 -24.79 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 2.81 110.942 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.3 t-20 -67.84 -35.33 78.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 2.6 111.096 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.7 p -98.1 -33.67 11.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.07 0.396 . . . . 1.03 112.07 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.71 14.58 21.07 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.757 -0.735 . . . . 1.05 111.896 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.19 -178.42 6.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.62 0.724 . . . . 1.45 112.671 -177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -130.87 115.42 16.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.282 -1.326 . . . . 1.18 108.338 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.562 HD23 ' HG ' ' A' 2118 ' ' LEU . 2.1 mp -123.23 155.17 65.21 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-O 121.183 0.516 . . . . 2.95 112.246 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' 2118 ' ' LEU . 68.2 Cg_endo -77.15 152.17 30.89 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.404 2.736 . . . . 1.1 112.385 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.52 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 55.5 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.95 2.433 . . . . 0.75 112.106 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 3.47 42.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.86 110.588 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.562 ' HG ' HD23 ' A' 2114 ' ' LEU . 2.0 tm? -37.65 -62.21 0.55 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.807 -1.088 . . . . 0.7 112.661 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.471 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.7 mm -73.31 -25.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.5 110.912 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.02 -50.58 61.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.994 -0.548 . . . . 3.49 110.531 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.89 -38.9 64.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.63 -0.714 . . . . 2.0 112.616 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -129.8 64.97 73.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.218 -0.593 . . . . 0.71 111.344 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -81.96 103.88 1.36 Allowed 'Trans proline' 0 N--CA 1.445 -1.376 0 CA-C-N 120.349 1.16 . . . . 0.43 111.371 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.95 144.09 0.43 Allowed Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 124.373 1.069 . . . . 0.5 108.286 170.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.532 ' O ' HG11 ' A' 2067 ' ' VAL . 37.9 Cg_exo -57.76 -54.97 2.7 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 121.57 1.513 . . . . 0.25 112.004 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.508 ' O ' ' HB ' ' A' 2129 ' ' THR . 84.9 t60 -68.43 -34.97 76.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.463 -0.335 . . . . 0.8 111.581 -176.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.95 92.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.756 0.312 . . . . 0.34 110.894 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 2128 ' ' LEU . 36.6 mt -63.53 -35.26 79.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.64 110.523 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' 2126 ' ' HIS . 86.5 m -51.28 -52.16 47.63 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.348 0.594 . . . . 0.33 110.97 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -44.09 79.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.154 -0.93 . . . . 2.22 110.594 -177.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.759 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.7 t60 -59.04 -57.65 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.59 110.147 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.508 HD11 HD21 ' A' 2114 ' ' LEU . 4.4 mm? -60.46 -33.48 72.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.48 111.423 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -64.02 -57.54 9.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.839 -0.43 . . . . 0.67 109.839 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 2.8 m -64.27 -22.87 67.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.74 111.866 -176.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.759 ' HG2' ' O ' ' A' 2131 ' ' HIS . 6.0 mmp_? . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.056 0.455 . . . . 3.18 111.008 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.686 ' O ' HD13 ' A' 2063 ' ' LEU . 47.1 mt-30 . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.594 -0.521 . . . . 2.83 109.594 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.72 -38.2 66.8 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.063 -0.517 . . . . 1.38 112.053 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.56 -55.3 36.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 1.97 110.085 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.3 m -50.7 -58.96 4.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.092 -0.958 . . . . 0.83 111.249 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' 2059 ' ' GLN . 3.9 mp -54.73 -42.51 71.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.601 -0.727 . . . . 0.92 112.07 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.16 69.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.825 0.345 . . . . 0.37 111.083 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.5 m -80.01 -35.86 36.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.167 -0.679 . . . . 0.42 109.167 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.35 -63.22 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.828 -1.078 . . . . 0.37 110.918 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.17 -39.06 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.64 111.189 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.565 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.16 -53.24 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.03 -0.532 . . . . 0.29 111.078 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.489 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -64.61 -35.97 82.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.825 0.345 . . . . 0.29 110.478 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.656 ' O ' HG13 ' A' 2074 ' ' VAL . . . -59.98 -62.23 2.02 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.656 -0.702 . . . . 0.34 110.012 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.409 ' HA ' ' HG ' ' A' 2102 ' ' LEU . 6.3 t -61.25 -32.54 72.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.38 111.416 -176.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.83 -26.61 62.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.183 -0.462 . . . . 0.54 111.213 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.8 m -88.34 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.114 0.259 . . . . 0.6 111.577 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.3 -37.85 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.633 0.73 . . . . 0.78 109.092 178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 114.893 -1.048 . . . . 1.24 111.208 175.605 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.938 -0.393 . . . . 1.52 109.938 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.489 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 50.4 Cg_exo -56.66 -32.97 92.39 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.363 2.709 . . . . 0.7 112.615 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.18 -27.68 69.53 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.547 -0.751 . . . . 2.96 111.173 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.6 t -105.2 17.55 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 1.7 111.181 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.565 HG13 ' HB1' ' A' 2068 ' ' ALA . 3.9 mm -72.67 118.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.46 -0.571 . . . . 0.76 109.46 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.2 m -81.63 122.93 80.99 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.995 0.426 . . . . 0.42 110.808 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 55.3 Cg_endo -65.17 -31.04 54.87 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.897 3.065 . . . . 0.36 113.647 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.1 -15.06 59.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.288 0.477 . . . . 0.47 112.288 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.1 m -83.45 148.45 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.39 110.846 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' 2092 ' ' LEU . . . -84.86 136.2 33.76 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.268 -0.878 . . . . 0.32 109.213 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' 2094 ' ' ILE . 13.9 m-85 -49.5 -34.74 17.86 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.542 0.526 . . . . 0.48 111.414 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -49.24 61.21 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.518 -0.764 . . . . 2.91 110.648 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.65 -38.8 92.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.447 -0.797 . . . . 1.88 111.85 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' 2088 ' ' ALA . 1.0 OUTLIER -69.49 -21.14 63.71 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.131 -0.228 . . . . 0.73 111.364 -176.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.6 5.99 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.248 -0.977 . . . . 0.27 112.523 177.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' 2094 ' ' ILE . 27.9 mm -69.3 118.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.172 0.511 . . . . 0.28 111.339 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -93.73 -172.45 2.88 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.089 -1.078 . . . . 1.07 108.089 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.03 -21.58 54.32 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 119.655 -0.818 . . . . 0.85 109.29 174.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' A' 2100 ' ' LEU . 17.6 mt -71.55 -50.07 34.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.595 -1.184 . . . . 1.65 110.504 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -14.48 58.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.665 -0.698 . . . . 0.27 112.136 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.29 110.609 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -73.09 -36.74 66.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.4 110.451 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.48 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -62.24 -40.43 96.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.72 111.209 178.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.496 HD23 ' HB1' ' A' 2070 ' ' ALA . 1.1 tt -56.48 -54.98 39.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.65 109.635 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -55.12 -47.77 74.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.01 -0.995 . . . . 2.43 110.233 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -50.02 -46.48 52.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 0.48 110.83 177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 22.8 m -65.31 -52.97 50.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.51 111.536 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' 2107 ' ' THR . 3.2 pp -70.32 -28.59 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 1.13 111.602 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.54 ' N ' HD12 ' A' 2106 ' ' LEU . 92.5 m -65.6 -46.01 80.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.22 0.533 . . . . 0.81 110.124 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 77.8 t60 -63.99 -32.41 73.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.598 -0.728 . . . . 2.81 111.143 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -82.05 -28.38 32.46 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.148 0.425 . . . . 2.6 112.148 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 29.3 p -90.44 -39.69 12.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 1.03 111.153 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 107.79 -30.36 9.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.902 -0.666 . . . . 1.05 112.324 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.464 ' H ' ' HG ' ' A' 2112 ' ' LEU . 1.2 pp -93.18 157.99 15.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.793 0.33 . . . . 1.45 110.349 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.54 123.96 34.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.786 -170.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.405 ' HB3' HD21 ' A' 2118 ' ' LEU . 2.6 mm? -104.9 144.08 28.0 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 2.95 110.336 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.18 143.78 84.9 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.018 2.478 . . . . 1.1 112.611 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.87 -10.67 18.1 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.09 2.527 . . . . 0.75 111.894 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' 2120 ' ' PHE . 2.9 p -88.6 5.36 43.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.86 111.42 177.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' 2114 ' ' LEU . 0.4 OUTLIER -34.57 -70.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.773 0.657 . . . . 0.7 112.773 170.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.407 ' CD1' HD11 ' A' 2128 ' ' LEU . 12.0 mm -81.29 -0.17 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 122.017 0.913 . . . . 0.5 109.819 -173.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' 2117 ' ' THR . 4.7 t80 -83.66 -47.14 11.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.899 -1.046 . . . . 3.49 109.221 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.92 -42.22 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.698 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -121.81 58.66 9.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 119.074 -0.488 . . . . 0.71 111.786 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.7 104.28 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 CA-C-N 120.905 1.359 . . . . 0.43 111.315 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.75 146.87 0.61 Allowed Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.672 -1.233 . . . . 0.5 107.672 171.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.448 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.7 Cg_exo -57.8 -52.03 6.87 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.449 1.433 . . . . 0.25 111.227 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.643 ' O ' ' HG3' ' A' 2130 ' ' GLN . 81.3 t60 -66.08 -37.15 85.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.819 -0.628 . . . . 0.8 111.156 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . 0.445 ' HA ' ' OE1' ' A' 2130 ' ' GLN . . . -66.3 -39.19 89.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.556 -0.293 . . . . 0.34 111.451 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' 2119 ' ' ILE . 20.1 mt -65.07 -40.1 94.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.688 -0.486 . . . . 0.64 109.688 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -52.49 -41.86 63.77 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.348 0.405 . . . . 0.33 110.296 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' 2126 ' ' HIS . 32.2 mt-30 -63.47 -48.99 75.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 2.22 109.953 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.56 -49.57 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.59 110.74 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' 2135 ' ' ARG . 3.6 mm? -62.93 -32.39 73.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.678 -0.692 . . . . 0.48 110.635 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -72.82 -33.52 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.06 -0.348 . . . . 0.67 110.06 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 33.0 m -64.44 -30.8 71.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.74 109.935 176.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' 2132 ' ' LEU . 8.8 mmm180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 3.18 111.296 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.666 ' O ' HD13 ' A' 2063 ' ' LEU . 6.5 mt-30 . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 120.328 0.109 . . . . 2.83 110.925 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -54.53 -41.05 69.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.507 0.558 . . . . 1.38 112.507 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -67.54 -40.66 85.01 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.429 -0.509 . . . . 1.97 110.887 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 94.3 m -57.18 -58.57 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.83 110.746 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' 2059 ' ' GLN . 6.3 mp -61.51 -35.4 77.6 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.077 -0.965 . . . . 0.92 112.099 -177.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.36 -27.58 68.67 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.994 0.426 . . . . 0.37 110.807 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 31.6 m -85.55 -32.82 21.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.902 -0.59 . . . . 0.42 109.411 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.51 -63.03 1.45 Allowed 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.46 -0.791 . . . . 0.37 110.534 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' 2063 ' ' LEU . 6.1 p -54.89 -38.54 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.933 -0.576 . . . . 0.64 111.216 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.409 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -59.35 -52.1 67.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.29 110.832 175.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.71 -27.51 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 0.29 110.876 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.28 -55.31 29.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.018 -0.537 . . . . 0.34 110.015 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.538 ' CG2' HD12 ' A' 2083 ' ' ILE . 5.5 t -70.54 -28.35 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.38 110.304 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -67.99 -15.01 63.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.54 110.569 174.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 55.1 m -90.25 -36.17 14.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.131 -0.486 . . . . 0.6 111.178 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -82.05 -39.19 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.074 0.464 . . . . 0.78 110.464 -176.316 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.475 HD21 HD13 ' A' 2094 ' ' ILE . 56.6 mt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.734 -0.667 . . . . 1.24 111.463 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.093 0.473 . . . . 1.52 111.713 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.12 -15.01 35.61 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.621 2.214 . . . . 0.7 110.699 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -69.73 -39.03 77.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.332 -1.304 . . . . 2.96 110.698 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.8 m -82.22 0.15 42.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.075 -0.966 . . . . 1.7 110.988 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.538 HD12 ' CG2' ' A' 2071 ' ' THR . 8.1 mm -80.56 102.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.746 -0.661 . . . . 0.76 110.261 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.0 m -84.5 129.83 55.96 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.919 0.39 . . . . 0.42 110.006 177.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.467 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.9 Cg_endo -65.78 -30.9 49.48 Favored 'Trans proline' 0 N--CA 1.472 0.241 0 C-N-CA 123.724 2.949 . . . . 0.36 113.758 -171.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.1 -9.92 55.81 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.95 0.352 . . . . 0.47 111.95 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.5 m -83.22 152.92 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.367 0.604 . . . . 0.39 110.781 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -89.19 140.21 29.7 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.028 -0.987 . . . . 0.32 109.72 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.437 ' HB3' HG13 ' A' 2094 ' ' ILE . 16.1 m-85 -57.2 -24.43 54.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.48 111.869 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.04 -65.1 0.61 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.12 0.486 . . . . 2.91 110.28 168.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -27.31 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.008 -0.996 . . . . 1.88 112.893 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.7 OUTLIER -75.76 -22.55 56.35 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.591 -0.444 . . . . 0.73 111.833 178.342 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.92 -0.47 9.14 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.213 -0.994 . . . . 0.27 113.151 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.475 HD13 HD21 ' A' 2075 ' ' LEU . 28.1 mm -68.62 124.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.158 0.504 . . . . 0.28 112.126 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' 2099 ' ' ALA . 16.6 m-20 -103.2 -165.75 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.064 -1.087 . . . . 1.07 108.064 170.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -31.78 62.88 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.58 0.705 . . . . 0.85 109.502 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' 2100 ' ' LEU . 19.9 mt -60.86 -50.67 72.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.39 -1.277 . . . . 1.65 110.453 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.4 p -86.16 -10.44 54.77 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.243 -0.889 . . . . 0.27 111.968 -178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.91 -38.71 92.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.29 109.966 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -76.67 -37.19 56.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.284 -0.416 . . . . 0.4 110.61 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.8 mm-40 -63.76 -42.23 97.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.317 . . . . 0.72 111.641 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.52 HD11 ' HB ' ' A' 2071 ' ' THR . 1.1 tt -60.19 -53.64 55.29 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.876 -0.416 . . . . 0.65 109.876 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.546 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 39.2 ttp-105 -54.46 -41.42 69.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.751 -0.659 . . . . 2.43 110.865 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.4 m-20 -50.6 -49.02 57.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.48 110.935 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.3 m -64.47 -42.22 96.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.743 -0.662 . . . . 0.51 110.593 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.8 -40.34 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 1.13 111.178 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 7.0 m -72.37 -28.56 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.599 . . . . 0.81 109.966 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -74.49 -24.34 59.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.571 -0.74 . . . . 2.81 110.657 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.43 -51.74 68.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.214 0.531 . . . . 2.6 111.041 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 15.0 p -105.83 -14.32 15.26 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.464 -0.789 . . . . 1.03 112.758 -169.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 76.94 -7.61 34.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.53 -0.843 . . . . 1.05 112.813 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' 2112 ' ' LEU . 2.9 pp -78.36 -171.77 2.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.192 -0.299 . . . . 1.45 110.192 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -102.15 141.48 34.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 120.794 0.331 . . . . 1.18 110.208 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.9 tp -137.55 132.57 17.65 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.897 -0.592 . . . . 2.95 109.404 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' 2118 ' ' LEU . 31.4 Cg_endo -63.94 141.88 79.42 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.13 2.553 . . . . 1.1 112.453 -176.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.546 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 26.0 Cg_exo -60.15 -21.29 65.42 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.931 2.421 . . . . 0.75 111.753 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.1 p -84.02 2.65 38.05 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.323 -0.853 . . . . 0.86 111.212 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -41.18 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.439 -0.8 . . . . 0.7 112.664 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' 2099 ' ' ALA . 31.2 mm -75.2 -18.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.394 0.616 . . . . 0.5 110.385 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.39 -39.73 74.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.573 -0.739 . . . . 3.49 110.06 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -43.02 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.46 -0.791 . . . . 2.0 111.912 -173.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -123.4 65.24 30.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.71 111.401 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -81.6 104.41 1.46 Allowed 'Trans proline' 0 N--CA 1.444 -1.387 0 CA-C-N 120.451 1.197 . . . . 0.43 110.825 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.13 137.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 114.625 -1.17 . . . . 0.5 108.606 174.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' 2085 ' ' PRO . 31.3 Cg_exo -59.22 -54.76 2.34 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.835 1.69 . . . . 0.25 112.307 -177.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.588 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.4 t60 -69.84 -31.15 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.8 111.474 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -71.83 -43.91 64.78 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.105 -0.238 . . . . 0.34 110.966 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.56 -38.92 72.59 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.29 . . . . 0.64 110.433 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' 2126 ' ' HIS . 94.5 m -49.07 -53.23 21.38 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.91 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -64.05 -35.56 81.12 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.214 -0.903 . . . . 2.22 111.39 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.46 ' O ' ' HG2' ' A' 2135 ' ' ARG . 72.7 t60 -67.47 -52.95 33.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.908 0.385 . . . . 0.59 110.95 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.9 mm? -63.99 -28.8 70.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.038 -0.528 . . . . 0.48 110.339 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.74 -42.49 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.67 109.885 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 89.5 m -61.21 -33.98 74.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.74 110.973 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' 2131 ' ' HIS . 17.6 mmm180 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 3.18 110.795 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.644 ' O ' HD13 ' A' 2063 ' ' LEU . 20.0 mm-40 . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 110.503 -0.184 . . . . 2.83 110.503 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -54.2 -39.0 66.27 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 113.055 0.761 . . . . 1.38 113.055 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' 2062 ' ' THR . 3.6 pt20 -66.17 -43.64 86.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.805 -0.758 . . . . 1.97 110.233 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.435 ' N ' ' HG3' ' A' 2061 ' ' GLN . 91.2 m -57.4 -60.19 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.21 0.528 . . . . 0.83 110.722 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' 2059 ' ' GLN . 5.4 mp -58.38 -36.16 73.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.309 -0.86 . . . . 0.92 112.063 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.1 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.37 110.875 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.6 m -79.89 -29.88 40.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.42 109.06 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.54 -64.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.948 -1.024 . . . . 0.37 110.638 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' 2063 ' ' LEU . 7.5 p -54.29 -40.49 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.953 -0.567 . . . . 0.64 111.541 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.54 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -59.36 -51.56 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.161 -0.472 . . . . 0.29 111.042 175.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.474 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.29 -30.48 69.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.811 0.339 . . . . 0.29 110.542 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.706 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.05 -63.01 1.44 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.03 -0.532 . . . . 0.34 109.643 177.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.442 ' HB ' HD11 ' A' 2102 ' ' LEU . 10.6 t -60.04 -35.38 74.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.38 111.18 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -70.37 -27.38 64.29 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.758 -0.656 . . . . 0.54 111.536 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.8 m -90.14 -36.1 15.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.119 0.414 . . . . 0.6 112.119 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -60.21 -33.93 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.827 -0.805 . . . . 0.78 108.827 178.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.453 HD23 HG21 ' A' 2098 ' ' THR . 58.7 mt . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 114.708 -1.133 . . . . 1.24 110.882 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 26.4 m . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.529 -0.545 . . . . 1.52 109.529 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.474 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 14.8 Cg_exo -67.76 -26.03 39.17 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 122.718 2.279 . . . . 0.7 110.956 -173.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.94 -19.37 65.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.341 -1.299 . . . . 2.96 110.569 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.1 t -110.46 14.7 22.49 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.474 -0.785 . . . . 1.7 111.168 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.54 HG13 ' HB1' ' A' 2068 ' ' ALA . 4.3 mm -79.48 118.9 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 O-C-N 122.043 -0.411 . . . . 0.76 110.116 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' 2125 ' ' PRO . 22.5 m -81.3 129.23 67.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 121.096 0.474 . . . . 0.42 111.029 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 74.2 Cg_endo -69.96 -33.07 16.54 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.587 2.858 . . . . 0.36 114.359 -174.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.17 -13.47 58.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.006 0.372 . . . . 0.47 112.006 -174.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.5 m -80.48 154.74 27.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.253 0.549 . . . . 0.39 110.884 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.477 ' O ' HD22 ' A' 2092 ' ' LEU . . . -88.81 141.71 28.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.58 -0.736 . . . . 0.32 109.88 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.485 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.4 m-85 -55.65 -28.72 56.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.739 0.304 . . . . 0.48 110.835 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -51.42 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.459 -0.791 . . . . 2.91 110.069 171.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.14 -35.08 66.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.459 -1.246 . . . . 1.88 111.78 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' 2088 ' ' ALA . 0.5 OUTLIER -67.62 -21.21 65.4 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 121.1 -0.24 . . . . 0.73 111.4 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.17 10.82 5.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.27 112.563 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 35.3 mm -81.17 126.23 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.809 0.337 . . . . 0.28 111.27 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.18 -169.32 1.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.188 -1.041 . . . . 1.07 108.188 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -24.45 62.16 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.938 -0.705 . . . . 0.85 110.025 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' 2100 ' ' LEU . 46.5 mt -66.11 -54.92 19.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.019 -0.991 . . . . 1.65 110.477 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.453 HG21 HD23 ' A' 2075 ' ' LEU . 2.7 p -82.22 -14.09 56.07 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.036 -0.983 . . . . 0.27 112.287 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' 2119 ' ' ILE . . . -56.96 -40.99 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.885 0.374 . . . . 0.29 110.515 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.4 pp -75.33 -35.98 61.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.747 -0.381 . . . . 0.4 110.715 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' 2104 ' ' ASN . 6.7 mm-40 -63.9 -40.28 96.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.72 110.964 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.442 HD11 ' HB ' ' A' 2071 ' ' THR . 0.8 OUTLIER -61.2 -53.26 59.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.65 110.402 175.044 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 46.8 ttp85 -52.93 -39.92 63.23 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.038 -0.528 . . . . 2.43 110.748 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' 2101 ' ' GLU . 75.4 m-20 -51.98 -53.41 41.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.48 110.945 175.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.9 m -61.94 -45.21 94.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.363 . . . . 0.51 110.972 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.9 mt -60.6 -38.98 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 1.13 111.448 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 62.7 m -67.91 -32.96 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.0 -0.545 . . . . 0.81 111.065 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 7.5 m170 -68.63 -19.38 64.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 2.81 111.771 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.32 -30.87 65.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.008 0.433 . . . . 2.6 111.181 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.464 ' HB ' ' HG ' ' A' 2112 ' ' LEU . 25.6 p -111.93 -25.72 9.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.519 0.563 . . . . 1.03 112.519 -176.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 75.71 5.81 79.89 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.73 -0.748 . . . . 1.05 111.392 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.464 ' HG ' ' HB ' ' A' 2110 ' ' THR . 51.9 mt -78.78 -167.94 1.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.823 -0.689 . . . . 1.45 110.709 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 39.1 t70 -122.81 96.51 5.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.713 0.768 . . . . 1.18 110.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.44 133.26 33.33 Favored Pre-proline 0 C--N 1.31 -1.118 0 CA-C-N 114.385 -1.28 . . . . 2.95 109.777 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.3 Cg_endo -61.37 144.28 98.28 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 C-N-CA 123.107 2.538 . . . . 1.1 111.877 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.403 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 14.4 Cg_endo -59.06 -9.38 7.87 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.899 2.4 . . . . 0.75 112.383 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.8 p -93.57 3.43 55.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.025 -0.534 . . . . 0.86 110.803 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -39.49 -69.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.871 0.869 . . . . 0.7 112.249 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' 2099 ' ' ALA . 41.8 mm -73.92 -20.26 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.444 0.64 . . . . 0.5 110.457 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -31.57 65.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.599 -0.728 . . . . 3.49 110.63 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.8 -39.58 10.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.753 -0.658 . . . . 2.0 112.11 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -130.66 65.56 76.6 Favored Pre-proline 0 N--CA 1.465 0.304 0 C-N-CA 120.578 -0.449 . . . . 0.71 111.513 -174.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -81.07 104.5 1.55 Allowed 'Trans proline' 0 N--CA 1.442 -1.504 0 CA-C-N 120.45 1.196 . . . . 0.43 110.584 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.43 138.31 0.41 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.761 -1.109 . . . . 0.5 108.858 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 40.7 Cg_exo -57.31 -58.27 0.95 Allowed 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 121.959 1.773 . . . . 0.25 112.542 -177.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' A' 2129 ' ' THR . 85.0 t60 -70.4 -34.54 72.67 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.793 0.294 . . . . 0.8 111.793 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.52 89.72 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.972 -0.291 . . . . 0.34 111.251 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.419 HD13 HD11 ' A' 2106 ' ' LEU . 37.6 mt -57.58 -39.75 77.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.576 -0.284 . . . . 0.64 110.459 171.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.645 ' HB ' ' O ' ' A' 2126 ' ' HIS . 93.2 m -52.45 -42.7 64.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.953 -0.567 . . . . 0.33 110.461 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' 2126 ' ' HIS . 55.6 mt-30 -64.14 -44.65 91.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.343 -0.844 . . . . 2.22 110.487 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 21.0 t60 -61.56 -52.95 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.59 110.902 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.4 mm? -66.03 -30.31 70.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.726 -0.389 . . . . 0.48 110.163 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -61.1 -35.76 77.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.741 0.305 . . . . 0.67 110.603 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 12.5 m -69.73 -41.99 74.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.74 110.045 175.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 115.888 -0.597 . . . . 3.18 111.482 179.228 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.713 ' O ' ' HG ' ' A' 2063 ' ' LEU . 23.9 mt-30 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.718 -0.105 . . . . 2.83 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -50.43 -40.64 50.95 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 112.936 0.717 . . . . 1.38 112.936 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.38 -45.16 88.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.23 0.456 . . . . 1.97 112.23 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . 0.424 HG22 ' O ' ' A' 2059 ' ' GLN . 9.5 t -71.52 -16.74 62.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.243 0.544 . . . . 0.83 110.91 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 2059 ' ' GLN . 14.9 mt -88.51 -38.18 15.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.203 -0.453 . . . . 0.92 109.957 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.11 69.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.512 -0.767 . . . . 0.37 109.869 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 63.7 m -74.21 -30.28 62.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.423 -0.808 . . . . 0.42 109.713 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 17.6 tp -70.85 -63.74 1.04 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.773 -0.649 . . . . 0.37 110.583 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' 2063 ' ' LEU . 5.7 p -53.92 -40.08 43.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.003 -0.544 . . . . 0.64 111.959 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.0 -52.94 61.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.29 110.603 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.78 71.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.29 110.532 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' 2074 ' ' VAL . . . -61.93 -59.72 4.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.575 -0.739 . . . . 0.34 110.506 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.536 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -69.12 -27.81 65.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.38 110.565 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -64.57 -36.1 83.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.698 -0.683 . . . . 0.54 110.412 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -68.86 -34.0 74.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.226 0.536 . . . . 0.6 110.493 177.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.808 HG12 HG22 ' A' 2098 ' ' THR . 2.2 t -72.5 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.753 -0.658 . . . . 0.78 111.008 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.572 HD11 HD13 ' A' 2094 ' ' ILE . 8.1 mp . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.819 -0.628 . . . . 1.24 111.493 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 109.699 -0.482 . . . . 1.52 109.699 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.514 ' HA ' HD12 ' A' 2083 ' ' ILE . 2.7 Cg_exo -74.37 -18.48 20.41 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.612 2.208 . . . . 0.7 110.295 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.61 -35.69 76.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.075 -1.421 . . . . 2.96 111.134 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -99.53 6.29 45.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.24 -173.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.536 HD13 ' CG2' ' A' 2071 ' ' THR . 37.1 mt -87.12 96.97 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.76 110.362 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 22.1 m -81.14 132.27 56.93 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.479 -0.782 . . . . 0.42 110.631 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 60.6 Cg_endo -68.86 -25.94 32.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.411 2.74 . . . . 0.36 112.934 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.49 -24.18 60.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 0.47 111.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.0 m -84.42 156.48 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.39 110.334 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -96.58 147.26 24.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.116 -0.493 . . . . 0.32 110.375 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.43 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 11.7 m-85 -53.25 -33.17 51.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.921 0.391 . . . . 0.48 110.905 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.06 -44.4 67.44 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.364 -0.834 . . . . 2.91 110.684 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.64 -30.86 36.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.636 -1.165 . . . . 1.88 111.921 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -22.74 63.08 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.795 0.294 . . . . 0.73 111.795 -178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 126.48 18.39 2.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 119.901 -1.143 . . . . 0.27 113.0 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.572 HD13 HD11 ' A' 2075 ' ' LEU . 29.2 mm -89.5 130.62 38.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.025 0.44 . . . . 0.28 111.413 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.89 -165.27 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.125 -1.065 . . . . 1.07 108.125 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -25.65 62.87 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.6 -0.84 . . . . 0.85 110.01 176.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.8 mt -65.15 -60.59 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.959 -1.019 . . . . 1.65 110.43 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.808 HG22 HG12 ' A' 2074 ' ' VAL . 1.1 p -73.78 -17.82 61.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.13 -0.941 . . . . 0.27 112.083 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.83 -42.75 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.954 0.407 . . . . 0.29 110.769 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -78.07 -35.4 49.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.59 -0.444 . . . . 0.4 110.203 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.3 mm-40 -62.86 -40.67 98.18 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.231 0.539 . . . . 0.72 110.891 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.32 -53.31 50.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.741 -0.663 . . . . 0.65 109.693 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 40.4 ttp-105 -54.3 -41.59 69.13 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.595 -0.73 . . . . 2.43 110.811 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.5 m-20 -50.14 -50.38 48.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.992 0.425 . . . . 0.48 110.809 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.3 m -66.21 -45.44 80.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.51 110.851 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.67 -42.38 88.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 1.13 111.208 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 28.1 m -62.36 -44.48 96.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.101 0.477 . . . . 0.81 110.563 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.07 -26.46 65.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.828 -0.624 . . . . 2.81 110.987 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -93.36 -4.6 51.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.238 -0.437 . . . . 2.6 111.598 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . 0.405 HG21 HD12 ' A' 2132 ' ' LEU . 21.0 p -110.63 -27.56 8.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.583 -0.281 . . . . 1.03 111.24 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.21 -14.12 46.53 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 121.065 -0.588 . . . . 1.05 112.847 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' 2112 ' ' LEU . 3.4 pp -103.57 -170.14 1.74 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.92 0.391 . . . . 1.45 110.763 -176.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -118.33 117.82 30.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.075 -0.511 . . . . 1.18 110.584 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.64 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -119.86 177.27 1.44 Allowed Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.578 -0.737 . . . . 2.95 109.364 179.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.64 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.8 Cg_endo -88.33 153.29 6.67 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.296 1.997 . . . . 1.1 112.934 -170.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.45 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 12.6 Cg_exo -68.25 -15.59 42.78 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.892 2.395 . . . . 0.75 111.431 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -83.5 -0.78 51.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.141 -0.936 . . . . 0.86 110.864 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -34.46 -67.03 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.972 -1.013 . . . . 0.7 112.83 176.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' 2099 ' ' ALA . 34.1 mm -79.31 -20.41 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.102 0.477 . . . . 0.5 110.803 -175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -67.02 -47.84 70.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.336 0.589 . . . . 3.49 110.042 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -81.11 -42.45 20.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.95 . . . . 2.0 112.167 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -127.06 63.09 55.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 C-N-CA 120.369 -0.532 . . . . 0.71 111.836 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -81.82 104.37 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 CA-C-N 120.39 1.175 . . . . 0.43 111.299 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.26 148.31 0.73 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 114.971 -1.013 . . . . 0.5 108.318 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.61 -54.51 0.74 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 121.711 1.608 . . . . 0.25 111.212 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.626 ' O ' ' HB ' ' A' 2129 ' ' THR . 76.2 t60 -67.42 -31.35 71.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.8 111.907 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -74.69 -41.16 60.74 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.816 -0.354 . . . . 0.34 111.567 -175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.92 -35.96 78.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.637 -0.505 . . . . 0.64 109.637 172.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' 2126 ' ' HIS . 95.5 m -53.11 -37.25 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.146 -0.933 . . . . 0.33 110.807 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' 2133 ' ' HIS . 16.4 mt-30 -73.89 -36.94 64.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.445 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -70.56 -43.35 69.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.59 110.812 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.405 HD12 HG21 ' A' 2110 ' ' THR . 2.8 mm? -74.28 -20.08 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.469 -0.493 . . . . 0.48 110.41 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' 2130 ' ' GLN . 14.2 t-80 -62.18 -38.47 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.5 -0.555 . . . . 0.67 109.5 172.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 32.2 m -63.88 -38.84 92.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.612 -0.722 . . . . 0.74 110.726 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.041 0.448 . . . . 3.18 110.884 -178.358 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.647 ' O ' HD13 ' A' 2063 ' ' LEU . 69.7 mt-30 . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 110.397 -0.223 . . . . 2.83 110.397 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -51.43 -51.36 55.49 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 112.771 0.656 . . . . 1.38 112.771 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -60.43 -39.02 85.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.196 -0.602 . . . . 1.97 110.672 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 72.6 m -59.25 -59.33 5.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.83 110.601 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' 2059 ' ' GLN . 6.7 mp -55.22 -38.42 68.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.92 111.881 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.58 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.37 111.016 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.3 m -85.92 -34.48 20.91 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.297 -0.631 . . . . 0.42 109.297 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.82 -62.24 2.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.37 110.465 174.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' 2063 ' ' LEU . 10.2 p -58.05 -38.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.623 -0.717 . . . . 0.64 111.601 -178.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.25 70.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.098 -0.334 . . . . 0.29 110.098 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.683 0.278 . . . . 0.29 110.732 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' 2074 ' ' VAL . . . -65.21 -50.87 64.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.403 -0.362 . . . . 0.34 111.173 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.643 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -76.16 -18.38 59.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.455 0.645 . . . . 0.38 110.274 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -73.73 -39.74 64.07 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.486 -0.779 . . . . 0.54 110.357 170.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.6 m -65.22 -35.85 82.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.748 0.309 . . . . 0.6 111.64 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' 2070 ' ' ALA . 0.1 OUTLIER -73.72 -60.77 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.78 111.693 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.518 HD11 HD13 ' A' 2094 ' ' ILE . 9.7 mp . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 1.24 112.008 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.46 0.066 0 N-CA-C 110.54 -0.17 . . . . 1.52 110.54 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.508 ' HA ' ' CD1' ' A' 2083 ' ' ILE . 10.9 Cg_exo -71.87 -19.65 26.88 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.804 2.336 . . . . 0.7 111.973 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.39 -37.31 85.24 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.193 -0.912 . . . . 2.96 112.087 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -100.05 18.77 17.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.7 111.118 -173.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.643 HD13 ' CG2' ' A' 2071 ' ' THR . 20.0 mt -96.41 90.0 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 121.547 0.689 . . . . 0.76 110.585 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.9 m -75.65 127.81 85.07 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.012 -0.995 . . . . 0.42 110.576 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.436 ' HA ' ' HG2' ' A' 2125 ' ' PRO . 38.3 Cg_endo -61.54 -30.8 86.8 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.887 3.058 . . . . 0.36 113.404 -174.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -72.91 -16.75 61.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.796 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.454 ' HB ' HD21 ' A' 2092 ' ' LEU . 3.2 m -91.05 156.48 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.39 111.136 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -93.41 141.71 28.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.411 -0.813 . . . . 0.32 109.937 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.569 ' HB3' ' CG1' ' A' 2094 ' ' ILE . 8.6 m-30 -56.06 -26.76 50.6 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.48 111.63 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -52.69 -58.51 6.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.472 0.483 . . . . 2.91 109.961 172.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' 2087 ' ' THR . 21.0 t70 -56.59 -41.16 76.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.686 -0.688 . . . . 1.88 111.724 174.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' 2087 ' ' THR . 0.9 OUTLIER -68.72 -23.67 64.38 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.088 0.403 . . . . 0.73 112.088 -177.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 131.0 -2.74 5.57 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 119.624 -1.274 . . . . 0.27 114.659 174.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.602 HD11 HD12 ' A' 2102 ' ' LEU . 15.7 mm -60.22 121.86 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 117.669 0.734 . . . . 0.28 111.131 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -104.57 -163.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 1.07 109.584 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -69.43 -34.26 74.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.425 0.631 . . . . 0.85 110.413 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.634 ' O ' ' HG ' ' A' 2100 ' ' LEU . 50.3 mt -73.87 -60.08 2.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.066 -0.97 . . . . 1.65 110.864 -176.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' 2102 ' ' LEU . 1.5 p -67.28 -11.23 56.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.14 -0.937 . . . . 0.27 112.709 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.94 95.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.29 110.636 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -82.67 -37.29 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.446 -0.502 . . . . 0.4 110.55 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.433 ' HA ' HD22 ' A' 2104 ' ' ASN . 5.1 mm-40 -62.07 -40.55 96.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.958 0.408 . . . . 0.72 111.231 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.602 HD12 HD11 ' A' 2094 ' ' ILE . 1.8 tt -59.04 -55.11 39.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.336 -0.616 . . . . 0.65 109.336 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.417 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 35.7 ttp-105 -54.76 -42.09 71.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.924 -1.035 . . . . 2.43 110.858 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' 2101 ' ' GLU . 86.0 m-20 -51.63 -40.92 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.045 0.45 . . . . 0.48 110.943 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 23.0 m -72.8 -45.6 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.51 110.517 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -45.6 90.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.032 -0.531 . . . . 1.13 111.723 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.7 m -59.49 -40.42 86.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.263 0.554 . . . . 0.81 110.231 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.11 -28.22 63.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.537 -0.756 . . . . 2.81 111.142 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -88.86 -10.83 46.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 2.6 111.368 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 31.7 p -106.63 -39.98 5.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.999 -0.546 . . . . 1.03 110.852 178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.75 60.26 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.84 -0.695 . . . . 1.05 112.779 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.0 pp -92.37 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.812 0.339 . . . . 1.45 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.78 119.16 34.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.23 0.538 . . . . 1.18 111.176 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.629 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -122.97 177.74 1.55 Allowed Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.208 -0.906 . . . . 2.95 109.229 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 51.7 Cg_endo -90.07 155.11 4.8 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.567 2.178 . . . . 1.1 112.802 -171.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.417 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 32.8 Cg_endo -65.72 -10.83 28.09 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.843 2.362 . . . . 0.75 111.961 176.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -92.94 2.56 56.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.855 -0.611 . . . . 0.86 110.724 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.5 tm? -36.36 -70.06 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.974 0.909 . . . . 0.7 113.002 177.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 37.5 mm -77.96 -20.95 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 121.388 0.613 . . . . 0.5 110.343 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.08 -34.72 78.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.465 -0.789 . . . . 3.49 110.196 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 7.5 t70 -94.69 -45.7 7.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.634 -0.712 . . . . 2.0 111.171 -176.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . 0.418 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 2.2 m-70 -121.25 63.94 13.39 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.798 -0.361 . . . . 0.71 111.715 -172.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . 0.443 ' HB2' ' HB2' ' A' 2089 ' ' PHE . 60.9 Cg_endo -80.34 104.69 1.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 CA-C-N 120.466 1.202 . . . . 0.43 109.83 176.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.15 144.68 0.58 Allowed Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.891 -1.049 . . . . 0.5 109.005 -175.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.436 ' HG2' ' HA ' ' A' 2085 ' ' PRO . 17.7 Cg_exo -66.25 -60.36 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 121.515 1.477 . . . . 0.25 112.224 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.616 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.5 t60 -71.07 -33.24 70.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.8 111.589 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . 0.493 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.35 -39.85 85.8 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.165 -0.214 . . . . 0.34 111.368 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.456 HD12 HG21 ' A' 2067 ' ' VAL . 23.0 mt -62.13 -39.65 93.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.724 -0.472 . . . . 0.64 109.724 172.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' 2126 ' ' HIS . 92.8 m -52.23 -53.82 38.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.569 -0.741 . . . . 0.33 110.759 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -40.68 88.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.738 -0.665 . . . . 2.22 110.687 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 58.4 t60 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.927 0.394 . . . . 0.59 110.877 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.479 ' HA ' ' HG2' ' A' 2135 ' ' ARG . 3.5 mm? -70.15 -21.39 63.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.224 -0.444 . . . . 0.48 110.957 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -73.58 -35.27 65.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.683 -0.488 . . . . 0.67 109.683 174.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 46.3 m -68.07 -29.71 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.74 110.353 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' A' 2132 ' ' LEU . 28.3 mmm180 . . . . . 0 C--N 1.332 -0.182 0 CA-C-O 121.47 0.653 . . . . 3.18 110.79 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.635 ' O ' HD13 ' A' 2063 ' ' LEU . 52.1 mt-30 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.483 0.182 . . . . 2.83 111.428 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -54.61 -42.94 71.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.236 0.828 . . . . 1.38 113.236 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -61.3 -42.22 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.305 -0.558 . . . . 1.97 110.598 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 53.5 m -58.5 -59.39 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.978 -0.555 . . . . 0.83 110.701 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' 2067 ' ' VAL . 6.9 mp -55.0 -49.7 70.84 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.562 -0.745 . . . . 0.92 111.989 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.65 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.086 0.47 . . . . 0.37 111.711 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.6 m -90.73 -33.83 15.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.635 -0.711 . . . . 0.42 109.628 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.32 -58.43 8.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.599 -0.728 . . . . 0.37 110.027 174.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' 2063 ' ' LEU . 23.7 t -45.22 -53.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 122.201 1.0 . . . . 0.64 110.896 174.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . 0.482 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -58.26 -45.93 86.91 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.531 -1.668 . . . . 0.29 111.733 -177.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -69.81 -32.69 71.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.779 0.323 . . . . 0.29 110.907 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.18 -56.17 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.34 110.642 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.463 ' HB ' HD11 ' A' 2102 ' ' LEU . 5.7 t -64.76 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.687 . . . . 0.38 110.312 -178.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -73.45 -19.62 60.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.064 -0.971 . . . . 0.54 111.154 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.1 m -87.24 -39.39 15.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 0.6 111.255 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -70.2 -39.44 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.78 109.414 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.018 -0.992 . . . . 1.24 110.51 174.37 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' 2081 ' ' GLU . 19.1 m . . . . . 0 N--CA 1.444 -0.775 0 N-CA-C 108.136 -1.061 . . . . 1.52 108.136 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 34.1 Cg_exo -61.97 -18.31 60.65 Favored 'Trans proline' 0 N--CA 1.471 0.189 0 C-N-CA 123.209 2.606 . . . . 0.7 112.232 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . 0.472 ' HB3' HG22 ' A' 2079 ' ' THR . 34.8 tt0 -61.56 -36.97 82.13 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.131 -0.941 . . . . 2.96 111.123 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 23.3 t -95.46 13.73 24.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 1.7 111.06 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.3 mm -86.91 105.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.704 -0.48 . . . . 0.76 109.704 174.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' 2125 ' ' PRO . 20.0 m -77.0 125.91 86.23 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 0.42 110.563 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.501 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.3 Cg_endo -66.87 -30.85 39.72 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 123.683 2.922 . . . . 0.36 113.797 -174.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.35 -9.07 58.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.024 0.379 . . . . 0.47 112.024 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.8 m -84.63 152.74 23.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.408 0.623 . . . . 0.39 111.064 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.414 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.18 139.26 30.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.326 -0.852 . . . . 0.32 109.777 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.416 ' HB3' HG13 ' A' 2094 ' ' ILE . 20.8 m-85 -53.72 -27.57 28.98 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.535 0.522 . . . . 0.48 111.612 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.12 -59.89 3.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.51 0.671 . . . . 2.91 110.468 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.84 -37.83 83.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.49 -1.232 . . . . 1.88 111.942 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' 2088 ' ' ALA . 1.1 mm? -66.9 -22.48 65.96 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.905 -0.318 . . . . 0.73 111.279 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.69 0.59 8.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.168 -1.015 . . . . 0.27 113.14 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' 2089 ' ' PHE . 31.1 mm -67.58 121.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.196 0.522 . . . . 0.28 112.099 -178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -105.08 -164.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.578 -0.737 . . . . 1.07 109.085 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -17.25 60.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.435 0.636 . . . . 0.85 110.271 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.8 mt -82.56 -47.55 12.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.166 -0.925 . . . . 1.65 110.251 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.6 p -85.09 -14.23 47.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.381 -0.827 . . . . 0.27 111.887 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.12 83.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.15 0.5 . . . . 0.29 110.347 174.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 2097 ' ' LEU . 2.9 pp -77.65 -43.0 32.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.62 -0.432 . . . . 0.4 110.473 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.511 ' N ' HD12 ' A' 2100 ' ' LEU . 7.4 mm-40 -56.88 -43.51 81.32 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 111.943 0.349 . . . . 0.72 111.943 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.497 ' HA ' HG11 ' A' 2074 ' ' VAL . 1.1 tt -56.22 -56.04 25.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 0.65 111.004 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.718 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.8 ptt-85 -68.42 -26.55 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.749 -0.38 . . . . 2.43 110.406 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.453 HD22 ' HA ' ' A' 2101 ' ' GLU . 91.5 m-20 -58.34 -47.28 84.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.344 0.593 . . . . 0.48 109.46 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' 2109 ' ' ASN . 17.1 m -63.04 -52.11 64.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.137 -0.938 . . . . 0.51 109.772 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -36.93 69.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.983 -0.553 . . . . 1.13 111.389 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 92.6 m -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.376 0.608 . . . . 0.81 110.351 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -78.89 -26.73 43.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.643 -0.708 . . . . 2.81 111.454 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' 2105 ' ' THR . 13.2 m120 -68.85 -32.59 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.069 0.462 . . . . 2.6 110.735 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 30.7 p -95.65 -40.95 9.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.879 -0.6 . . . . 1.03 111.311 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.97 49.27 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.827 -0.702 . . . . 1.05 112.273 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.4 pp -100.27 -173.29 2.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 1.45 110.913 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.05 140.02 47.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.672 -0.694 . . . . 1.18 110.459 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.489 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 3.8 pp -142.23 166.8 19.05 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 2.95 110.813 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.513 ' HD2' HD23 ' A' 2118 ' ' LEU . 29.2 Cg_endo -91.71 160.61 3.47 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.788 2.992 . . . . 1.1 113.466 -168.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.718 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 33.1 Cg_endo -65.13 -9.96 23.82 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.253 2.636 . . . . 0.75 112.926 177.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.7 p -101.63 2.78 39.19 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.368 -0.378 . . . . 0.86 110.966 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' 2115 ' ' PRO . 1.5 tm? -37.51 -66.15 0.26 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.288 -0.869 . . . . 0.7 112.284 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.74 -22.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.175 0.512 . . . . 0.5 110.671 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.67 -39.91 64.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.889 -0.596 . . . . 3.49 111.042 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.55 -38.77 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 2.0 111.467 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -124.05 58.72 16.09 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 119.109 -0.472 . . . . 0.71 111.385 -173.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -80.92 104.55 1.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-N 120.971 1.383 . . . . 0.43 111.546 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 143.05 0.49 Allowed Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.674 -1.148 . . . . 0.5 108.042 170.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.529 ' HA ' HG11 ' A' 2067 ' ' VAL . 36.0 Cg_exo -60.37 -46.89 16.02 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 121.675 1.584 . . . . 0.25 111.81 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.538 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.1 t60 -75.47 -30.49 59.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.8 112.057 -178.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -73.43 -38.6 65.47 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.131 -0.355 . . . . 0.34 111.262 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.01 -28.54 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.96 -0.385 . . . . 0.64 109.96 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.538 ' HB ' ' O ' ' A' 2126 ' ' HIS . 38.2 m -57.36 -36.54 71.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.823 -0.626 . . . . 0.33 110.387 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.35 -45.91 24.57 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.346 -0.843 . . . . 2.22 110.198 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 61.3 t60 -62.31 -52.97 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.59 110.562 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.518 HD13 ' HG3' ' A' 2135 ' ' ARG . 3.6 mm? -68.74 -23.01 64.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.48 111.063 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' 2129 ' ' THR . 43.8 t-80 -64.71 -37.29 87.1 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.343 -0.614 . . . . 0.67 109.343 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.2 m -66.91 -41.2 87.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.781 -0.645 . . . . 0.74 109.547 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.518 ' HG3' HD13 ' A' 2132 ' ' LEU . 21.7 mmm180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.611 -0.722 . . . . 3.18 110.918 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.689 ' O ' HD13 ' A' 2063 ' ' LEU . 11.1 mt-30 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.456 -0.202 . . . . 2.83 110.456 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -55.65 -35.75 66.27 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 112.541 0.571 . . . . 1.38 112.541 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -63.13 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.275 -0.57 . . . . 1.97 110.311 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 98.3 m -61.44 -57.67 11.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.723 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' 2059 ' ' GLN . 5.9 mp -59.66 -38.84 82.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.391 -0.822 . . . . 0.92 111.997 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.45 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.37 110.514 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 49.8 m -81.33 -34.83 31.59 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.5 -0.556 . . . . 0.42 109.5 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.05 -63.9 1.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.37 110.719 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -53.62 -41.37 46.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 123.474 0.484 . . . . 0.64 111.362 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.64 -57.55 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.29 111.004 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.428 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.01 -28.49 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.29 110.939 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.02 -57.38 10.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.029 -0.532 . . . . 0.34 110.128 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.494 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.8 t -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.279 0.562 . . . . 0.38 110.426 -177.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . . . . . . . . . . . -66.29 -25.36 66.82 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.362 -0.835 . . . . 0.54 110.409 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 24.0 m -86.71 -35.84 19.02 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.89 -0.324 . . . . 0.6 110.864 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.78 -40.83 70.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.78 109.897 -179.182 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 1.24 110.95 176.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' 2081 ' ' GLU . 4.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.887 -0.783 . . . . 1.52 108.887 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.428 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 23.0 Cg_exo -64.71 -19.48 64.58 Favored 'Trans proline' 0 N--CA 1.467 -0.064 0 C-N-CA 122.693 2.262 . . . . 0.7 111.655 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . 0.445 ' HB3' HG22 ' A' 2079 ' ' THR . 31.6 tt0 -64.98 -37.86 89.07 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.971 -1.013 . . . . 2.96 111.407 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.6 t -93.5 10.57 31.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.236 0.541 . . . . 1.7 110.55 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' 2071 ' ' THR . 21.9 mt -91.23 103.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.411 . . . . 0.76 110.032 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.567 ' HB2' ' OG1' ' A' 2087 ' ' THR . 53.9 m -75.49 130.67 79.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.189 -0.459 . . . . 0.42 110.581 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.497 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 60.1 Cg_endo -67.38 -27.62 40.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.321 2.68 . . . . 0.36 113.172 -175.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.93 -8.32 58.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.21 -0.45 . . . . 0.47 112.196 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.8 m -84.17 151.62 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.322 0.582 . . . . 0.39 110.906 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -87.04 137.59 32.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.284 -0.871 . . . . 0.32 109.497 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.434 ' HA ' HD23 ' A' 2092 ' ' LEU . 8.1 m-85 -53.39 -30.5 40.31 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.94 -0.573 . . . . 0.48 111.994 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -49.76 64.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 123.527 0.517 . . . . 2.91 109.911 174.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.89 -34.45 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 1.88 111.407 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.6 mm? -69.29 -23.38 63.82 Favored 'General case' 0 C--O 1.23 0.053 0 C-N-CA 120.827 -0.349 . . . . 0.73 111.251 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.99 5.7 6.18 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.021 -1.085 . . . . 0.27 112.918 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.467 HD11 ' OG1' ' A' 2071 ' ' THR . 33.8 mm -74.23 129.12 36.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.016 0.436 . . . . 0.28 111.663 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -112.73 -163.85 0.88 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.925 -1.139 . . . . 1.07 107.925 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 5.4 p -71.98 -39.87 68.99 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.125 -0.63 . . . . 0.85 110.7 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.786 ' O ' ' HG ' ' A' 2100 ' ' LEU . 2.1 tt -62.12 -53.46 55.06 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.422 -0.808 . . . . 1.65 111.61 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . 0.519 ' N ' HD23 ' A' 2097 ' ' LEU . 0.6 OUTLIER -67.96 -16.45 64.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.8 0.333 . . . . 0.27 111.774 179.021 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.78 72.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.319 -0.4 . . . . 0.29 110.7 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.786 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.5 pp -80.25 -33.49 37.87 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.363 -0.535 . . . . 0.4 109.741 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' 2104 ' ' ASN . 9.2 mm-40 -58.71 -40.78 84.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.077 0.465 . . . . 0.72 110.664 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.469 HD22 HD11 ' A' 2106 ' ' LEU . 0.6 OUTLIER -63.59 -52.51 60.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.745 -0.662 . . . . 0.65 110.499 177.057 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.596 ' NH1' ' HA ' ' A' 2116 ' ' PRO . 40.0 mtm105 -58.44 -33.5 69.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.005 -0.543 . . . . 2.43 111.164 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' 2101 ' ' GLU . 73.4 m-20 -53.73 -42.29 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.48 111.0 175.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.61 -47.28 14.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.229 -0.441 . . . . 0.51 111.162 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.469 HD11 HD22 ' A' 2102 ' ' LEU . 85.0 mt -54.92 -48.45 73.08 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.873 0.368 . . . . 1.13 111.281 -177.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . 0.622 ' HA ' HD23 ' A' 2114 ' ' LEU . 26.2 m -61.84 -49.69 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.647 . . . . 0.81 110.913 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 81.0 t60 -68.43 -32.63 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.767 -0.651 . . . . 2.81 111.574 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -71.51 -27.91 63.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 2.6 111.184 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 5.9 p -100.45 -35.28 9.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.295 -0.411 . . . . 1.03 111.943 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 92.36 11.68 59.39 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.146 -0.782 . . . . 1.05 111.146 -176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' 2135 ' ' ARG . 57.4 mt -94.97 -168.57 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.973 -0.613 . . . . 1.45 111.313 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -120.51 119.81 34.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.859 -1.064 . . . . 1.18 109.715 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' 2107 ' ' THR . 4.2 mm? -112.48 133.35 21.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.315 -0.402 . . . . 2.95 110.91 -174.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -72.03 145.11 44.06 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.334 . . . . 1.1 111.802 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.596 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 38.1 Cg_endo -66.31 -13.25 39.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.822 2.348 . . . . 0.75 111.943 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.3 p -95.28 4.99 52.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.551 -0.75 . . . . 0.86 111.282 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.442 ' HB3' ' HD3' ' A' 2103 ' ' ARG . 20.8 tp -44.27 -59.04 2.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.326 0.584 . . . . 0.7 111.956 175.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 15.7 mm -79.08 -0.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.5 110.059 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -42.43 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.752 -0.832 . . . . 3.49 108.752 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -86.06 -51.23 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.432 -0.804 . . . . 2.0 111.263 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -125.69 64.69 50.63 Favored Pre-proline 0 C--N 1.331 -0.204 0 C-N-CA 120.808 -0.357 . . . . 0.71 111.364 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -80.2 104.46 1.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 CA-C-N 120.568 1.239 . . . . 0.43 110.259 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.53 143.96 0.53 Allowed Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 114.582 -1.19 . . . . 0.5 108.923 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.497 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.5 Cg_exo -57.55 -59.47 0.57 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 121.806 1.671 . . . . 0.25 112.166 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.604 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.3 t60 -70.92 -35.23 72.18 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.974 0.361 . . . . 0.8 111.974 -174.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . 0.467 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.925 -0.31 . . . . 0.34 111.389 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' 2128 ' ' LEU . 18.8 mt -67.22 -36.75 82.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.982 0.42 . . . . 0.64 109.936 171.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -53.7 -42.98 68.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.543 -0.753 . . . . 0.33 110.341 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2126 ' ' HIS . 60.9 mt-30 -61.35 -44.78 96.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.516 -0.766 . . . . 2.22 110.477 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.91 -56.54 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 0.59 110.819 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.3 mm? -68.61 -24.6 64.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.882 -0.599 . . . . 0.48 110.971 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -65.7 -34.42 78.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.021 -0.363 . . . . 0.67 110.021 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 4.6 m -72.51 -42.01 65.27 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.74 109.774 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.527 ' HB3' HD13 ' A' 2112 ' ' LEU . 36.3 mmt180 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 112.52 0.563 . . . . 3.18 112.52 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2059 ' ' GLN . . . . . 0.624 ' O ' HD13 ' A' 2063 ' ' LEU . 56.6 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.16 0.029 . . . . 2.83 111.033 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.35 -36.86 69.25 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.935 0.346 . . . . 1.38 111.935 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -62.32 -51.96 65.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.517 0.675 . . . . 1.97 109.684 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2062 ' ' THR . . . . . . . . . . . . . 58.7 m -53.6 -58.21 8.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.576 -1.193 . . . . 0.83 111.121 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2063 ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' 2059 ' ' GLN . 8.3 mp -57.38 -38.82 74.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.793 0.664 . . . . 0.92 112.793 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.37 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2065 ' ' THR . . . . . . . . . . . . . 22.0 m -90.63 -33.31 15.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.42 109.492 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2066 ' ' LEU . . . . . 0.507 HD22 ' ND2' ' A' 2109 ' ' ASN . 17.1 tp -54.32 -60.94 2.66 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.366 -0.833 . . . . 0.37 110.995 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2067 ' ' VAL . . . . . 0.533 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.5 p -54.41 -41.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.595 -0.73 . . . . 0.64 111.55 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.86 -51.9 62.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.082 -0.508 . . . . 0.29 110.862 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2069 ' ' ALA . . . . . 0.535 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.99 -31.91 72.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.897 0.379 . . . . 0.29 110.603 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2070 ' ' ALA . . . . . 0.658 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.21 -59.88 4.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.815 -0.629 . . . . 0.34 109.86 175.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2071 ' ' THR . . . . . 0.48 ' HB ' HD11 ' A' 2102 ' ' LEU . 7.3 t -66.41 -31.77 72.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.02 0.438 . . . . 0.38 111.004 -173.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2072 ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -74.17 -19.01 60.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.014 -0.539 . . . . 0.54 111.15 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2073 ' ' THR . . . . . . . . . . . . . 66.3 m -89.88 -39.54 12.98 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.548 0.203 . . . . 0.6 111.548 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2074 ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -64.77 -36.64 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 109.069 -0.715 . . . . 0.78 109.069 179.115 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . 0.4 HD21 HD13 ' A' 2094 ' ' ILE . 58.0 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.197 -0.911 . . . . 1.24 111.583 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2079 ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 56.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.074 -0.343 . . . . 1.52 110.074 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2080 ' ' PRO . . . . . 0.535 ' HB3' ' N ' ' A' 2069 ' ' ALA . 50.1 Cg_exo -56.99 -34.79 98.29 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.09 2.527 . . . . 0.7 112.318 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.42 -20.94 64.99 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.488 -0.778 . . . . 2.96 111.208 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2082 ' ' SER . . . . . . . . . . . . . 10.7 t -110.32 19.35 18.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 1.7 111.033 -176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2083 ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.3 mt -87.45 117.65 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 O-C-N 122.053 -0.404 . . . . 0.76 110.48 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2084 ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' 2125 ' ' PRO . 33.2 m -69.11 134.11 89.59 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.745 . . . . 0.42 111.002 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2085 ' ' PRO . . . . . 0.533 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 57.1 Cg_endo -67.92 -30.48 32.91 Favored 'Trans proline' 0 N--CA 1.471 0.172 0 C-N-CA 123.737 2.958 . . . . 0.36 113.938 -172.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -96.93 13.97 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.957 0.725 . . . . 0.47 112.957 -173.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2087 ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.2 m -90.93 152.51 20.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.174 0.511 . . . . 0.39 111.168 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2088 ' ' ALA . . . . . 0.466 ' O ' HD22 ' A' 2092 ' ' LEU . . . -83.99 139.21 32.69 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.32 109.408 176.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2089 ' ' PHE . . . . . 0.471 ' HB3' HG13 ' A' 2094 ' ' ILE . 13.6 m-85 -60.89 -25.54 66.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 0.48 112.18 -176.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -18.22 61.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 120.968 0.414 . . . . 2.91 110.879 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2091 ' ' ASP . . . . . 0.421 ' HB3' HG22 ' A' 2087 ' ' THR . 14.9 t70 -80.96 -29.45 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.329 -0.619 . . . . 1.88 109.329 174.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2092 ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' 2088 ' ' ALA . 0.6 OUTLIER -80.86 -23.24 39.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.73 110.818 178.074 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.57 11.22 5.61 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.364 -0.922 . . . . 0.27 113.463 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2094 ' ' ILE . . . . . 0.471 HG13 ' HB3' ' A' 2089 ' ' PHE . 26.0 mm -70.33 125.19 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.986 0.422 . . . . 0.28 112.089 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2095 ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' 2099 ' ' ALA . 22.9 m-20 -98.37 -168.58 1.67 Allowed 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.601 -0.727 . . . . 1.07 109.061 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -24.08 44.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 118.924 -1.11 . . . . 0.85 109.608 174.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.7 mt -75.58 -52.79 9.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.158 -0.928 . . . . 1.65 110.027 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.52 -12.01 60.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.301 -0.863 . . . . 0.27 111.825 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.12 -47.65 85.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 0.29 110.122 173.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2100 ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -70.81 -35.82 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.418 -0.355 . . . . 0.4 110.781 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2101 ' ' GLU . . . . . 0.571 ' N ' HD12 ' A' 2100 ' ' LEU . 6.7 mm-40 -58.74 -44.04 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.795 0.331 . . . . 0.72 111.396 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2102 ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.7 tt -56.61 -54.46 45.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.03 -0.532 . . . . 0.65 110.065 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2103 ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 60.2 ttp85 -55.41 -40.13 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 2.43 111.182 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2104 ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' 2101 ' ' GLU . 84.0 m-20 -51.22 -51.88 49.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.48 110.601 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.8 m -62.16 -45.4 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.51 110.821 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2106 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 2102 ' ' LEU . 73.0 mt -59.77 -44.51 93.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 1.13 111.326 -178.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2107 ' ' THR . . . . . . . . . . . . . 24.3 m -65.54 -41.93 92.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.929 -0.578 . . . . 0.81 110.867 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.38 -27.07 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.973 -0.558 . . . . 2.81 110.954 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2109 ' ' ASN . . . . . 0.507 ' ND2' HD22 ' A' 2066 ' ' LEU . 7.7 t30 -77.08 -48.13 18.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.158 0.504 . . . . 2.6 110.973 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2110 ' ' THR . . . . . . . . . . . . . 17.7 p -70.62 -41.03 72.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 1.03 111.438 -174.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.48 -31.07 8.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 1.05 112.731 175.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.4 pp -84.44 -177.65 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.963 0.411 . . . . 1.45 110.717 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.96 133.5 55.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.134 -0.484 . . . . 1.18 110.026 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2114 ' ' LEU . . . . . 0.637 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -135.06 177.17 2.36 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.772 -0.649 . . . . 2.95 109.424 -178.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2115 ' ' PRO . . . . . 0.637 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.6 Cg_endo -81.33 151.62 17.79 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.014 1.809 . . . . 1.1 112.83 -168.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2116 ' ' PRO . . . . . 0.469 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 35.1 Cg_endo -64.38 -16.66 56.3 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.108 2.539 . . . . 0.75 111.973 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2117 ' ' THR . . . . . . . . . . . . . 20.6 p -89.89 4.09 51.02 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.865 -0.607 . . . . 0.86 110.967 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2118 ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' 2115 ' ' PRO . 2.0 tm? -32.81 -62.09 0.26 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.68 0.792 . . . . 0.7 112.958 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2119 ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' 2099 ' ' ALA . 41.1 mm -75.04 -25.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.336 0.589 . . . . 0.5 110.838 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -73.7 -32.1 63.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.568 -0.742 . . . . 3.49 110.279 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.7 -51.65 8.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 2.0 111.124 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -126.66 72.58 74.3 Favored Pre-proline 0 N--CA 1.465 0.276 0 CA-C-O 119.359 -0.353 . . . . 0.71 111.61 -171.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -81.71 104.24 1.43 Allowed 'Trans proline' 0 N--CA 1.446 -1.293 0 CA-C-N 120.479 1.207 . . . . 0.43 111.581 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.55 140.68 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 124.573 1.149 . . . . 0.5 108.235 168.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2125 ' ' PRO . . . . . 0.533 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 51.9 Cg_exo -55.57 -58.15 1.25 Allowed 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 121.914 1.743 . . . . 0.25 112.216 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2126 ' ' HIS . . . . . 0.545 ' O ' ' HB ' ' A' 2129 ' ' THR . 71.6 t60 -69.17 -31.48 70.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.8 111.946 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.55 87.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.84 0.352 . . . . 0.34 110.636 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.26 -36.89 85.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.64 110.512 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2129 ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' 2126 ' ' HIS . 90.9 m -52.07 -52.61 50.06 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.33 110.009 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -63.73 -44.89 92.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.361 -0.836 . . . . 2.22 111.955 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2131 ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' 2135 ' ' ARG . 74.8 t60 -58.17 -59.49 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.932 -0.307 . . . . 0.59 110.227 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2132 ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.8 mm? -65.03 -31.64 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.48 110.957 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -60.87 -45.9 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.867 -0.42 . . . . 0.67 109.867 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2134 ' ' THR . . . . . . . . . . . . . 11.0 m -66.07 -33.96 76.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.76 -0.655 . . . . 0.74 110.274 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2135 ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' 2131 ' ' HIS . 3.7 mmp_? . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.399 0.619 . . . . 3.18 110.556 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.983 -0.447 . . . . 6.58 111.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' 2049 ' ' MET . 67.9 p 52.62 91.53 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.846 0.858 . . . . 4.27 112.039 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 22.54 0.09 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.084 -0.962 . . . . 6.67 110.914 176.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.474 ' H ' ' C ' ' A' 2047 ' ' SER . 1.4 mpt? -82.02 18.57 1.31 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.546 -0.752 . . . . 3.75 112.215 -171.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -73.35 -10.7 60.02 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.63 0.729 . . . . 9.54 109.564 177.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 7.5 mp -83.24 22.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.294 -0.867 . . . . 6.31 110.087 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.0 p30 -58.65 153.09 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.585 -0.734 . . . . 4.71 111.246 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 112.39 10.52 17.24 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.112 -0.795 . . . . 3.43 111.112 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 97.7 mt -84.5 149.7 25.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.491 -0.354 . . . . 3.31 110.199 175.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 12.2 p -71.41 157.32 90.24 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 108.882 -0.784 . . . . 2.08 108.882 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.618 ' O ' ' HG3' ' A' 2060 ' ' GLN . 80.0 Cg_exo -43.34 -54.17 3.72 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.99 2.46 . . . . 1.78 113.18 -175.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -68.06 -28.98 67.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.58 0.585 . . . . 2.4 112.58 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -67.56 -33.48 75.12 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.238 0.542 . . . . 2.4 110.298 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.748 ' O ' ' HG ' ' A' 2063 ' ' LEU . 52.4 mt-30 -76.68 -45.47 29.53 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.024 -0.535 . . . . 2.83 109.738 173.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' 2056 ' ' PRO . 91.5 mt-30 -54.32 -44.5 72.09 Favored 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 112.406 0.521 . . . . 1.38 112.406 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -59.59 -40.26 86.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 1.97 110.567 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' 2059 ' ' GLN . 84.9 m -57.93 -43.85 86.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.83 110.756 173.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' 2059 ' ' GLN . 17.6 mt -78.43 -36.89 44.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.376 -0.829 . . . . 0.92 111.292 -173.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.21 -24.37 67.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.169 0.509 . . . . 0.37 110.419 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 51.8 m -82.42 -38.39 24.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.18 -0.674 . . . . 0.42 109.18 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.97 -63.94 1.12 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.261 -0.881 . . . . 0.37 111.385 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.35 -38.9 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 0.64 111.596 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.92 -50.05 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.549 -0.296 . . . . 0.29 110.905 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.465 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -62.97 -32.72 74.12 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.1 0.476 . . . . 0.29 109.96 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.97 -56.83 13.68 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.339 -0.846 . . . . 0.34 110.353 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.571 ' HB ' HD11 ' A' 2102 ' ' LEU . 14.0 t -68.08 -36.36 79.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.014 0.435 . . . . 0.38 111.417 -174.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.617 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -68.25 -22.84 64.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.1 -0.5 . . . . 0.54 110.565 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 54.4 m -81.01 -42.16 21.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.6 111.499 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -62.48 -36.73 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.353 0.596 . . . . 0.78 109.816 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 42.2 mt -90.62 -11.15 40.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.528 -0.76 . . . . 1.24 111.978 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 61.5 47.54 90.04 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.801 -0.636 . . . . 1.3 113.11 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.599 ' O ' ' HB1' ' A' 2072 ' ' ALA . 0.0 OUTLIER -154.44 162.43 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.871 0.335 . . . . 2.09 111.212 -174.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 26.5 t60 69.21 135.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.351 1.241 . . . . 5.96 114.351 160.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 22.8 m -65.56 119.91 63.98 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.286 -0.87 . . . . 1.52 109.731 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' 2069 ' ' ALA . 52.8 Cg_exo -57.78 -29.56 86.28 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.031 2.487 . . . . 0.7 112.566 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.02 -21.9 66.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 2.96 110.646 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.7 t -100.57 6.9 44.28 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.539 -0.755 . . . . 1.7 111.122 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' 2072 ' ' ALA . 11.5 mt -83.58 111.03 19.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.899 0.38 . . . . 0.76 110.189 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.449 ' HB2' ' OG1' ' A' 2087 ' ' THR . 25.3 m -74.31 126.5 88.92 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.822 -0.626 . . . . 0.42 111.427 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.523 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 18.4 Cg_endo -59.59 -38.79 79.99 Favored 'Trans proline' 0 CA--C 1.516 -0.394 0 C-N-CA 123.954 3.103 . . . . 0.36 113.671 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -71.96 -5.79 37.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.671 -0.695 . . . . 0.47 112.147 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.469 ' O ' HG22 ' A' 2124 ' ' THR . 3.7 m -90.28 153.1 20.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.214 0.531 . . . . 0.39 110.861 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.414 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.25 142.82 27.06 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.477 -0.783 . . . . 0.32 110.083 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.492 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.2 m-85 -54.36 -29.72 49.26 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.323 0.389 . . . . 0.48 110.915 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -42.8 -63.61 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.22 -0.9 . . . . 2.91 110.605 168.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.97 -37.61 83.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.931 -1.486 . . . . 1.88 112.103 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' 2088 ' ' ALA . 0.9 OUTLIER -67.55 -21.44 65.46 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.664 0.246 . . . . 0.73 111.664 -178.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 119.09 10.62 8.04 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.421 -0.895 . . . . 0.27 112.767 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 33.7 mm -77.73 131.65 34.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.951 0.405 . . . . 0.28 111.685 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . 0.515 ' HB2' HD12 ' A' 2097 ' ' LEU . 29.2 m-20 -107.0 -162.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.012 -0.736 . . . . 1.07 109.012 172.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -34.17 51.57 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.06 -0.656 . . . . 0.85 111.371 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.61 -44.03 58.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.938 -0.573 . . . . 1.65 110.512 -177.652 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.89 -16.08 58.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.245 -0.434 . . . . 0.27 111.806 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.521 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.74 -48.54 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 0.29 110.417 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -70.69 -36.02 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.278 -0.419 . . . . 0.4 110.562 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.474 ' N ' HD12 ' A' 2100 ' ' LEU . 8.4 mm-40 -62.13 -38.84 90.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.864 0.364 . . . . 0.72 111.39 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.571 HD11 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -58.09 -53.81 54.01 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.824 -0.436 . . . . 0.65 109.824 173.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 50.3 ttp85 -53.74 -49.52 67.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.826 . . . . 2.43 109.791 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.42 HD22 ' HA ' ' A' 2101 ' ' GLU . 93.9 m-20 -48.95 -49.37 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.567 -0.742 . . . . 0.48 110.943 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 53.5 m -61.6 -53.15 60.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.914 -0.585 . . . . 0.51 111.743 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' 2102 ' ' LEU . 3.2 pp -72.67 -19.83 61.36 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.687 -0.405 . . . . 1.13 111.528 -176.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 93.5 m -73.71 -39.92 63.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 0.81 109.87 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 35.7 m170 -67.83 -24.36 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 2.81 110.673 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -91.69 -7.09 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.118 -0.492 . . . . 2.6 111.795 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 14.9 p -108.83 -29.69 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.758 0.281 . . . . 1.03 111.758 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.51 6.02 86.26 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.806 -0.712 . . . . 1.05 112.939 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 2.1 pp -109.88 -169.78 1.53 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.704 -0.292 . . . . 1.45 110.51 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -113.88 137.94 50.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.339 -0.391 . . . . 1.18 110.182 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' 2114 ' ' LEU . 3.9 tp -133.71 141.03 38.5 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.226 -0.443 . . . . 2.95 110.635 -172.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.57 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -66.94 144.09 68.91 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.191 2.594 . . . . 1.1 112.487 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.2 -5.96 12.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.956 2.437 . . . . 0.75 112.359 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.3 p -98.49 3.23 48.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.591 . . . . 0.86 110.106 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.7 OUTLIER -39.34 -64.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.387 -1.279 . . . . 0.7 112.635 178.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' 2099 ' ' ALA . 39.0 mm -73.89 -25.0 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 0.5 110.83 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -66.22 -36.52 83.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.914 -0.585 . . . . 3.49 110.294 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.86 -44.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 2.0 112.605 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . 0.416 ' HB3' ' HB1' ' A' 2127 ' ' ALA . 7.9 m-70 -128.42 64.19 66.79 Favored Pre-proline 0 N--CA 1.468 0.44 0 C-N-CA 120.393 -0.523 . . . . 0.71 111.925 -172.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' 2124 ' ' THR . 59.5 Cg_endo -82.87 106.58 1.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 CA-C-N 119.972 1.026 . . . . 0.43 112.995 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.676 HG23 ' O ' ' A' 2123 ' ' PRO . 3.3 p -176.67 158.99 1.58 Allowed Pre-proline 0 C--O 1.236 0.342 0 N-CA-C 105.786 -1.931 . . . . 0.5 105.786 164.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.501 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.3 Cg_exo -61.75 -38.97 56.43 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 120.427 1.188 . . . . 0.25 109.825 169.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 68.1 t60 -62.51 -55.95 22.63 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.19 -0.913 . . . . 0.8 112.484 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' 2122 ' ' HIS . . . -59.3 -40.06 85.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.735 0.303 . . . . 0.34 111.696 -173.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' 2119 ' ' ILE . 24.7 mt -67.3 -35.28 79.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.788 -0.365 . . . . 0.64 110.682 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.527 HG23 ' HB2' ' A' 2063 ' ' LEU . 63.8 m -54.49 -41.0 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.252 0.549 . . . . 0.33 110.6 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -47.88 35.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.51 -0.768 . . . . 2.22 110.077 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' 2135 ' ' ARG . 79.8 t60 -59.62 -50.22 74.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.973 -0.558 . . . . 0.59 110.573 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.436 ' O ' HD13 ' A' 2136 ' ' LEU . 3.9 mm? -68.33 -28.22 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.596 -0.274 . . . . 0.48 111.064 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -62.62 -46.41 88.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.562 -0.532 . . . . 0.67 109.562 175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' 2138 ' ' GLN . 9.6 m -65.65 -36.49 83.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.74 110.562 176.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 2131 ' ' HIS . 7.0 mmp_? -64.29 -27.73 69.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 3.18 111.429 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.456 ' HG ' ' HG2' ' A' 2049 ' ' MET . 1.5 mp -91.39 -36.7 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.211 -0.449 . . . . 2.37 111.948 -175.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 40.1 p -90.52 -47.53 7.65 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.448 0.642 . . . . 1.41 111.062 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.2 OUTLIER -81.93 -26.68 33.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.062 -0.972 . . . . 2.57 111.551 -175.1 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' 2135 ' ' ARG . 14.5 m -117.74 137.42 52.72 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.865 0.364 . . . . 3.48 110.977 -178.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.3 p80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.216 -0.897 . . . . 6.78 110.343 177.098 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.111 -0.396 . . . . 6.58 112.111 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' 2109 ' ' ASN . 77.9 p -102.0 155.74 17.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.964 0.411 . . . . 4.27 110.033 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -81.21 15.47 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.164 0.507 . . . . 6.67 110.418 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.477 ' HE3' HD12 ' A' 2136 ' ' LEU . 49.1 mtt -80.2 -19.6 46.64 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 115.517 -0.765 . . . . 3.75 110.418 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -81.22 -5.79 58.14 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.097 -0.956 . . . . 9.54 109.581 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 8.1 mp -104.58 22.48 14.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.986 -1.006 . . . . 6.31 109.465 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.42 150.63 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.193 -0.912 . . . . 4.71 110.873 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.49 3.75 27.11 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.667 -0.573 . . . . 3.43 111.667 -175.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.87 153.16 23.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.099 0.476 . . . . 3.31 110.984 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.3 m -77.71 154.08 80.95 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.101 -0.703 . . . . 2.08 109.101 174.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.417 ' O ' ' HG3' ' A' 2060 ' ' GLN . 92.5 Cg_exo -42.89 -55.85 2.52 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.21 2.607 . . . . 1.78 113.544 -176.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.89 -29.78 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.324 0.491 . . . . 2.4 112.324 -177.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -66.64 -39.84 88.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 2.4 110.546 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.632 ' O ' HD13 ' A' 2063 ' ' LEU . 26.9 mt-30 -77.97 -48.67 15.71 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.969 -0.559 . . . . 2.83 110.746 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' 2056 ' ' PRO . 99.1 mt-30 -48.26 -44.56 33.56 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 112.845 0.683 . . . . 1.38 112.845 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.28 -43.93 98.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 1.97 110.957 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 64.3 m -60.5 -56.59 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.83 110.791 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' 2059 ' ' GLN . 6.1 mp -61.22 -37.23 82.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.602 -0.726 . . . . 0.92 112.084 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.19 -26.59 67.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.034 0.445 . . . . 0.37 110.801 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 27.9 m -83.2 -38.04 22.82 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.18 -0.674 . . . . 0.42 109.18 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.456 HD22 ' ND2' ' A' 2109 ' ' ASN . 20.8 tp -55.31 -61.16 2.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.435 -0.802 . . . . 0.37 110.843 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' 2063 ' ' LEU . 6.2 p -56.48 -42.97 76.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.38 -0.827 . . . . 0.64 111.735 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.52 80.44 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.487 -0.19 . . . . 0.29 110.487 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.512 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -60.71 -40.01 90.71 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.812 0.339 . . . . 0.29 110.221 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.716 ' O ' HG13 ' A' 2074 ' ' VAL . . . -60.56 -56.81 16.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.724 -0.671 . . . . 0.34 110.845 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.454 ' CB ' HD11 ' A' 2102 ' ' LEU . 4.6 t -68.17 -25.32 65.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.215 0.531 . . . . 0.38 110.781 -175.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -76.07 -34.07 59.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.675 . . . . 0.54 111.236 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 92.4 m -78.91 -42.07 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.086 0.402 . . . . 0.6 112.086 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.716 HG13 ' O ' ' A' 2070 ' ' ALA . 1.8 m -60.66 -34.72 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.697 0.76 . . . . 0.78 109.572 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 61.9 mt -87.64 -36.2 17.6 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.825 -1.079 . . . . 1.24 111.109 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 60.86 80.45 0.1 OUTLIER Glycine 0 CA--C 1.512 -0.134 0 N-CA-C 111.533 -0.627 . . . . 1.3 111.533 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.35 -8.04 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.603 0.964 . . . . 2.09 113.603 -168.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.488 ' O ' ' HB1' ' A' 2072 ' ' ALA . 18.9 t60 -156.3 143.19 18.81 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.706 -0.797 . . . . 5.96 112.003 -167.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 24.0 m -73.93 131.52 81.37 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.214 -0.661 . . . . 1.52 109.214 174.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.512 ' HB3' ' N ' ' A' 2069 ' ' ALA . 12.8 Cg_exo -67.44 -28.79 38.54 Favored 'Trans proline' 0 CA--C 1.513 -0.527 0 C-N-CA 122.773 2.315 . . . . 0.7 110.785 -173.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -62.12 -29.11 70.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.231 -1.35 . . . . 2.96 110.245 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 38.7 t -101.95 12.32 37.12 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.055 -0.975 . . . . 1.7 111.125 -172.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.8 mt -84.11 128.27 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.986 0.422 . . . . 0.76 111.046 176.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' 2125 ' ' PRO . 15.2 m -83.97 125.0 73.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.622 -0.717 . . . . 0.42 111.024 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.487 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 40.3 Cg_endo -63.49 -32.71 70.41 Favored 'Trans proline' 0 N--CA 1.473 0.306 0 C-N-CA 123.712 2.941 . . . . 0.36 113.929 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -80.66 -11.45 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.344 0.498 . . . . 0.47 112.344 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.6 m -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.485 0.66 . . . . 0.39 111.062 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.402 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.08 138.93 30.97 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.13 -0.941 . . . . 0.32 110.045 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.527 ' HB3' HG13 ' A' 2094 ' ' ILE . 7.6 m-30 -53.15 -30.37 36.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.469 -0.787 . . . . 0.48 112.523 -177.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -58.62 -40.19 82.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.091 0.472 . . . . 2.91 110.81 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.49 -30.32 65.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.39 -0.823 . . . . 1.88 110.522 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.4 mm? -78.06 -21.75 50.15 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.501 -0.318 . . . . 0.73 110.915 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.96 2.51 6.09 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.229 -0.986 . . . . 0.27 113.932 173.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.527 HG13 ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -65.39 128.17 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 117.26 0.53 . . . . 0.28 112.063 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -107.68 -174.11 2.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.672 -0.862 . . . . 1.07 108.672 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -27.73 64.5 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.645 -0.822 . . . . 0.85 109.924 176.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.749 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.1 mt -64.53 -58.99 4.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.96 . . . . 1.65 110.709 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.92 60.75 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.771 -0.649 . . . . 0.27 112.199 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -61.87 -34.61 76.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.189 -0.459 . . . . 0.29 111.117 174.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -76.65 -42.28 42.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.306 -0.557 . . . . 0.4 110.635 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.511 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -60.38 -39.66 88.08 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.72 111.398 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' 2094 ' ' ILE . 0.9 OUTLIER -62.29 -52.56 63.23 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.908 -0.587 . . . . 0.65 110.859 -179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.684 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 14.8 ptt-85 -68.14 -24.09 64.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.758 -0.377 . . . . 2.43 110.267 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' 2101 ' ' GLU . 79.3 m-20 -58.05 -46.82 84.76 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.018 0.437 . . . . 0.48 109.914 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 20.6 m -72.81 -42.26 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.911 -0.586 . . . . 0.51 111.165 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' 2067 ' ' VAL . 93.9 mt -61.64 -55.8 26.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.944 0.402 . . . . 1.13 111.605 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 6.7 m -66.93 -27.48 67.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.878 -0.601 . . . . 0.81 110.798 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -68.23 -30.13 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 2.81 110.976 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' 2047 ' ' SER . 9.0 t30 -76.9 -20.93 55.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.579 0.704 . . . . 2.6 110.776 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.502 HG21 HD12 ' A' 2132 ' ' LEU . 1.3 p -110.67 -37.18 5.52 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 113.369 0.877 . . . . 1.03 113.369 -174.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 102.82 0.97 49.08 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.289 -0.958 . . . . 1.05 114.325 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.526 HD22 ' H ' ' A' 2112 ' ' LEU . 0.1 OUTLIER -66.67 -170.29 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 122.13 0.967 . . . . 1.45 110.855 175.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.16 131.17 48.84 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.486 -1.233 . . . . 1.18 110.165 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.96 108.25 1.51 Allowed Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.618 -0.719 . . . . 2.95 112.611 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.493 ' HG2' HD23 ' A' 2118 ' ' LEU . 57.7 Cg_endo -92.06 126.85 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.197 2.598 . . . . 1.1 112.031 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.684 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 21.7 Cg_endo -61.86 -10.42 17.27 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.359 2.039 . . . . 0.75 112.343 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 16.7 p -103.39 2.44 33.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.86 112.11 -174.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.6 tm? -49.93 -66.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.356 -0.384 . . . . 0.7 111.857 -175.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.542 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.2 mm -79.72 -15.05 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.467 0.651 . . . . 0.5 110.307 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . 0.46 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.1 m-85 -72.68 -36.65 67.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.63 -0.714 . . . . 3.49 110.389 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -37.6 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 2.0 112.098 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -132.1 62.01 61.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.266 -0.574 . . . . 0.71 112.422 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' 2089 ' ' PHE . 64.0 Cg_endo -82.09 105.47 1.49 Allowed 'Trans proline' 0 N--CA 1.451 -1.01 0 CA-C-N 120.499 1.214 . . . . 0.43 111.095 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.75 147.29 0.63 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.711 -0.848 . . . . 0.5 108.711 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.487 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 23.1 Cg_exo -62.76 -57.91 0.38 Allowed 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 121.385 1.39 . . . . 0.25 111.523 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.453 ' O ' ' HB ' ' A' 2129 ' ' THR . 79.6 t60 -64.49 -41.96 96.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 0.8 111.779 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.644 0.259 . . . . 0.34 111.204 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' 2106 ' ' LEU . 42.3 mt -62.16 -34.81 77.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.64 110.846 175.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' 2126 ' ' HIS . 89.5 m -53.32 -48.11 68.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.051 0.453 . . . . 0.33 110.07 176.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' 2126 ' ' HIS . 8.1 mm100 -63.46 -36.43 83.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.434 -0.803 . . . . 2.22 111.118 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.563 ' O ' ' HG2' ' A' 2135 ' ' ARG . 46.9 t60 -62.34 -55.72 25.37 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 0.59 110.293 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.502 HD12 HG21 ' A' 2110 ' ' THR . 2.7 mm? -71.15 -25.72 62.68 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.678 -0.409 . . . . 0.48 110.709 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -63.85 -42.85 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.856 -0.424 . . . . 0.67 109.856 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.658 ' O ' ' HG2' ' A' 2138 ' ' GLN . 58.7 m -64.54 -37.0 86.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.881 -0.599 . . . . 0.74 110.61 176.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.9 mmp_? -57.66 -33.24 68.12 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.143 0.497 . . . . 3.18 110.876 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.477 HD12 ' HE3' ' A' 2049 ' ' MET . 10.2 mp -84.36 -41.2 16.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.507 -0.769 . . . . 2.37 111.003 -179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' 2134 ' ' THR . 21.1 p -70.75 -9.79 58.07 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.231 0.538 . . . . 1.41 110.853 -178.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' 2134 ' ' THR . 23.2 mm-40 -59.14 -22.59 61.15 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.446 -0.797 . . . . 2.57 110.728 171.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 3.5 m -84.93 75.18 10.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 3.48 110.51 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.683 -0.675 . . . . 6.78 111.291 178.397 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.616 ' O26' ' HG ' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 112.013 -0.435 . . . . 6.58 112.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 10.5 m -102.3 136.28 42.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.811 0.339 . . . . 4.27 110.512 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' 2051 ' ' LEU . 0.3 OUTLIER -68.85 -6.67 28.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.348 0.594 . . . . 6.67 110.955 -179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.59 ' HG3' HD22 ' A' 2136 ' ' LEU . 15.1 mmt -60.42 -57.68 11.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.887 -1.051 . . . . 3.75 111.597 -176.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.424 ' O ' ' HD3' ' A' 2050 ' ' ARG . 2.7 tmt_? -71.62 -18.14 62.23 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.392 -1.276 . . . . 9.54 110.186 -174.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' 2048 ' ' HIS . 51.4 mt -75.11 -51.04 14.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 6.31 111.202 -175.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -92.27 114.68 27.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.274 0.472 . . . . 4.71 112.274 -173.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 38.9 38.93 0.8 Allowed Glycine 0 C--N 1.339 0.72 0 N-CA-C 116.192 1.237 . . . . 3.43 116.192 168.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' 2054 ' ' LEU . 0.1 OUTLIER -100.35 112.08 24.4 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.784 1.278 . . . . 3.31 112.065 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.533 ' O ' HD22 ' A' 2054 ' ' LEU . 7.0 m -102.83 150.63 37.94 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 112.525 -2.125 . . . . 2.08 106.087 163.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' 2060 ' ' GLN . 50.2 Cg_exo -37.28 -43.78 1.21 Allowed 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.27 2.647 . . . . 1.78 114.982 -171.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.24 -30.05 64.51 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.681 0.623 . . . . 2.4 112.681 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.497 ' HG3' ' H ' ' A' 2055 ' ' SER . 0.0 OUTLIER -55.39 -51.24 67.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.942 0.401 . . . . 2.4 111.579 -177.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.688 ' O ' HD13 ' A' 2063 ' ' LEU . 8.8 mm100 -77.58 -35.31 53.15 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.733 -0.387 . . . . 2.83 111.73 -176.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' 2056 ' ' PRO . 77.7 mt-30 -53.41 -47.56 69.48 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.168 0.432 . . . . 1.38 112.168 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -63.92 -40.38 96.34 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.477 -0.489 . . . . 1.97 110.907 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -60.03 4.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.277 0.561 . . . . 0.83 110.802 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.688 HD13 ' O ' ' A' 2059 ' ' GLN . 5.3 mp -59.43 -37.41 78.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.28 -0.873 . . . . 0.92 112.152 -177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.37 110.828 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 34.9 m -83.3 -40.7 19.18 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.283 -0.636 . . . . 0.42 109.283 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.42 HD22 ' ND2' ' A' 2109 ' ' ASN . 20.0 tp -55.11 -62.05 1.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.147 -0.933 . . . . 0.37 111.11 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -57.76 -41.25 79.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.023 -0.535 . . . . 0.64 111.487 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.535 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -61.74 -49.16 77.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.144 -0.48 . . . . 0.29 110.945 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.422 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.16 -31.48 71.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.5 -0.318 . . . . 0.29 110.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 2074 ' ' VAL . . . -62.16 -64.52 0.91 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.865 -0.607 . . . . 0.34 109.718 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . . . . . . . . . 11.2 t -59.81 -32.07 70.3 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.741 -0.663 . . . . 0.38 111.603 -174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.56 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -72.31 -33.21 67.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.869 -0.605 . . . . 0.54 111.455 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 88.0 m -81.63 -32.78 31.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.301 0.375 . . . . 0.6 111.669 -176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.595 HG12 HG22 ' A' 2098 ' ' THR . 1.5 t -51.84 -60.14 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.325 0.584 . . . . 0.78 109.807 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' 2075 ' ' LEU . 9.7 mp -73.44 -41.01 63.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.255 -0.884 . . . . 1.24 111.468 175.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 72.35 85.69 0.2 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.662 -0.975 . . . . 1.3 110.662 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.95 -3.65 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.589 0.959 . . . . 2.09 113.589 -169.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.46 ' O ' ' HB1' ' A' 2072 ' ' ALA . 16.8 t60 -152.18 144.63 24.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.651 -0.82 . . . . 5.96 111.778 -168.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.414 HG22 ' H ' ' A' 2081 ' ' GLU . 10.8 m -73.74 128.38 86.95 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.498 -0.774 . . . . 1.52 109.07 171.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.422 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 24.5 Cg_exo -63.96 -23.18 68.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.627 2.218 . . . . 0.7 110.928 -177.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . 0.414 ' H ' HG22 ' A' 2079 ' ' THR . 10.4 mm-40 -72.09 -18.63 61.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.547 -1.206 . . . . 2.96 110.478 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.8 t -110.57 7.48 22.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.207 -0.906 . . . . 1.7 111.104 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' 2072 ' ' ALA . 7.3 mm -70.72 112.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 122.009 -0.432 . . . . 0.76 109.911 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.467 ' HB2' ' OG1' ' A' 2087 ' ' THR . 16.7 m -72.56 125.66 91.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.487 . . . . 0.42 110.57 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 54.5 Cg_endo -66.05 -32.18 44.47 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.701 2.934 . . . . 0.36 113.823 -174.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -83.23 -15.26 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.218 -0.446 . . . . 0.47 112.055 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.3 m -75.8 153.08 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.434 0.635 . . . . 0.39 110.771 -177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' 2092 ' ' LEU . . . -92.74 144.57 25.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.425 -0.807 . . . . 0.32 109.863 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.463 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 32.1 m-85 -57.88 -28.35 64.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.461 -0.336 . . . . 0.48 110.792 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -48.87 -52.34 24.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.606 -0.725 . . . . 2.91 109.949 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.02 -28.29 57.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.685 -1.143 . . . . 1.88 112.176 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' 2088 ' ' ALA . 0.4 OUTLIER -70.24 -20.56 63.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.027 -0.269 . . . . 0.73 110.889 176.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.42 4.41 13.7 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.748 -0.739 . . . . 0.27 112.285 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 32.2 mm -70.86 135.12 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.968 0.413 . . . . 0.28 111.319 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.15 -169.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.901 -0.777 . . . . 1.07 108.901 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . 0.565 ' HB3' ' S1 ' ' A' 2201 ' ' 66S . 0.0 OUTLIER -69.55 -24.71 63.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 0.85 110.115 177.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.0 mt -76.51 -48.44 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.446 -1.252 . . . . 1.65 110.308 -175.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.595 HG22 HG12 ' A' 2074 ' ' VAL . 1.2 p -82.26 -16.83 48.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.411 -0.813 . . . . 0.27 112.068 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.73 -42.04 87.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.068 0.461 . . . . 0.29 110.664 174.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.4 pp -73.7 -40.97 63.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.647 -0.421 . . . . 0.4 110.296 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.489 ' HA ' HD22 ' A' 2104 ' ' ASN . 16.7 mm-40 -58.63 -38.98 79.24 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-O 120.65 0.262 . . . . 0.72 111.307 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.477 HD22 HD11 ' A' 2106 ' ' LEU . 1.3 tt -61.49 -57.93 10.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.295 -0.411 . . . . 0.65 110.487 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -67.21 -20.48 65.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.277 -0.42 . . . . 2.43 111.253 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.489 HD22 ' HA ' ' A' 2101 ' ' GLU . 61.0 m-20 -57.18 -50.67 72.1 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.008 -0.367 . . . . 0.48 110.008 172.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 21.0 m -74.36 -36.79 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.531 . . . . 0.51 111.15 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.477 HD11 HD22 ' A' 2102 ' ' LEU . 89.8 mt -57.88 -49.54 76.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.947 0.403 . . . . 1.13 110.739 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.9 m -68.96 -33.42 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.81 110.431 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -62.31 -42.76 99.64 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.859 -0.61 . . . . 2.81 110.364 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.42 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.0 t30 -68.77 -35.94 77.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.892 -0.594 . . . . 2.6 110.947 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.737 ' HB ' HD21 ' A' 2136 ' ' LEU . 19.7 p -88.13 -34.67 17.79 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.773 -0.648 . . . . 1.03 112.729 -170.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.27 5.07 63.99 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.86 -0.686 . . . . 1.05 112.075 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.6 -170.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 1.45 110.913 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . 0.645 ' O ' ' HD3' ' A' 2115 ' ' PRO . 12.6 t70 -99.02 139.12 35.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.341 -0.845 . . . . 1.18 109.105 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 60.0 tp -79.37 106.21 4.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.542 0.571 . . . . 2.95 112.542 -172.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' A' 2113 ' ' ASP . 72.2 Cg_endo -91.45 136.73 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.025 2.483 . . . . 1.1 112.148 175.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.8 -5.5 17.31 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.34 2.026 . . . . 0.75 112.096 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' 2120 ' ' PHE . 4.8 p -102.85 2.6 35.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 0.86 111.579 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.471 HD23 ' HG2' ' A' 2115 ' ' PRO . 0.9 OUTLIER -52.28 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.884 -0.598 . . . . 0.7 111.799 -176.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' 2099 ' ' ALA . 31.3 mm -81.27 -14.62 12.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.625 . . . . 0.5 109.957 -177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' 2117 ' ' THR . 68.7 t80 -69.11 -53.92 17.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.724 -0.671 . . . . 3.49 110.486 177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . 0.409 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 19.9 t70 -82.25 -41.04 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.509 -0.769 . . . . 2.0 111.786 -172.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 1.1 m-70 -122.76 58.2 10.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 118.98 -0.533 . . . . 0.71 111.906 -171.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -81.24 104.3 1.5 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 CA-C-N 121.159 1.45 . . . . 0.43 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 146.39 0.61 Allowed Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 124.655 1.182 . . . . 0.5 107.834 170.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.483 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 39.0 Cg_exo -60.81 -53.6 2.56 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 121.608 1.539 . . . . 0.25 111.422 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.485 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 78.3 t60 -66.87 -34.57 78.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.8 111.932 -178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.24 -40.51 74.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.724 0.297 . . . . 0.34 111.069 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.2 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.459 -0.337 . . . . 0.64 110.179 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' 2133 ' ' HIS . 89.0 m -56.59 -36.54 69.5 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.33 110.707 175.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -80.32 -46.16 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 2.22 110.497 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.559 ' O ' ' HG2' ' A' 2135 ' ' ARG . 64.0 t60 -58.91 -55.96 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.59 110.573 -178.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.9 mm? -65.91 -28.25 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.823 -0.626 . . . . 0.48 110.833 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' 2129 ' ' THR . 15.6 t-80 -63.36 -39.97 95.99 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.921 -0.4 . . . . 0.67 109.921 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 26.0 m -72.59 -39.96 66.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.001 -0.545 . . . . 0.74 110.495 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.3 mmp_? -57.06 -41.95 79.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 3.18 110.856 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.737 HD21 ' HB ' ' A' 2110 ' ' THR . 95.4 mt -83.16 -18.3 39.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.826 -1.079 . . . . 2.37 112.099 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 38.4 p -100.17 -19.8 16.26 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.143 0.496 . . . . 1.41 110.741 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -75.38 -47.46 27.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.583 -0.735 . . . . 2.57 110.712 176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 47.8 t -96.45 102.44 14.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.128 -0.487 . . . . 3.48 109.844 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.4 p80 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 118.11 -0.947 . . . . 6.78 110.859 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.565 ' S1 ' ' HB3' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.199 -0.36 . . . . 6.58 112.199 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 23.6 p -141.61 156.28 45.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.9 0.381 . . . . 4.27 110.215 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 3.9 p80 -84.43 22.01 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.391 0.615 . . . . 6.67 110.645 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.526 ' HG2' HD12 ' A' 2136 ' ' LEU . 0.1 OUTLIER -95.58 13.04 27.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.37 -0.832 . . . . 3.75 111.534 -174.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.424 ' C ' ' H ' ' A' 2052 ' ' ASN . 38.8 mmt180 -80.47 6.6 11.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.304 0.574 . . . . 9.54 110.942 -173.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' 2051 ' ' LEU . 4.0 mm? -77.06 27.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.357 -0.838 . . . . 6.31 111.314 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' 2050 ' ' ARG . 7.6 p30 -39.86 150.02 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.876 0.87 . . . . 4.71 112.261 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.19 0.64 29.84 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.057 -1.217 . . . . 3.43 110.057 -169.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' 2059 ' ' GLN . 2.2 pp -74.86 138.39 42.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.369 -0.916 . . . . 3.31 110.059 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 10.6 t -79.16 143.78 61.53 Favored Pre-proline 0 C--N 1.318 -0.798 0 N-CA-C 107.213 -1.403 . . . . 2.08 107.213 168.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.434 ' O ' ' HG3' ' A' 2060 ' ' GLN . 49.5 Cg_exo -38.31 -44.19 1.98 Allowed 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.618 2.879 . . . . 1.78 114.708 -173.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.428 ' HA ' ' HB2' ' A' 2060 ' ' GLN . 95.7 mt-30 -69.4 -17.86 63.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.495 0.554 . . . . 2.4 112.495 -176.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' 2061 ' ' GLN . 81.1 mm-40 -59.77 -59.01 6.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.933 0.397 . . . . 2.4 110.372 177.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.678 ' O ' HD13 ' A' 2063 ' ' LEU . 4.8 mt-30 -65.19 -41.2 94.82 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.215 -0.448 . . . . 2.83 110.981 176.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' 2056 ' ' PRO . 96.1 mt-30 -53.83 -42.45 68.47 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 112.494 0.554 . . . . 1.38 112.494 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' 2058 ' ' GLN . 29.0 pt20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.994 -0.682 . . . . 1.97 110.696 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.2 m -55.68 -57.98 9.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.83 110.96 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' 2059 ' ' GLN . 5.8 mp -59.27 -36.88 76.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.669 -0.696 . . . . 0.92 111.719 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.76 74.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.957 0.408 . . . . 0.37 111.02 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.2 m -80.95 -37.93 28.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.35 -0.611 . . . . 0.42 109.35 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 16.6 tp -55.72 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.994 -1.003 . . . . 0.37 110.983 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -57.07 -41.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.885 -0.598 . . . . 0.64 111.374 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.541 . . . . 0.29 111.148 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.41 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -67.08 -32.2 73.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.344 -0.389 . . . . 0.29 110.616 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.672 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.99 -61.13 2.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.34 110.153 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.454 ' HB ' HD11 ' A' 2102 ' ' LEU . 13.7 t -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.851 -0.613 . . . . 0.38 111.145 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -70.3 -23.42 62.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.54 111.624 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 90.3 m -90.22 -35.3 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.904 0.335 . . . . 0.6 111.904 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -65.69 -37.47 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.229 -0.656 . . . . 0.78 109.229 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 62.7 mt -88.16 -34.07 17.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.086 -0.961 . . . . 1.24 111.153 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 59.91 81.11 0.08 OUTLIER Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.056 -0.592 . . . . 1.3 111.64 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.38 3.37 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.425 0.898 . . . . 2.09 113.425 -169.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.432 ' O ' ' HB1' ' A' 2072 ' ' ALA . 44.4 t60 -162.36 145.5 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.562 -0.855 . . . . 5.96 112.143 -169.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 97.9 m -72.59 122.11 86.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.561 -0.745 . . . . 1.52 109.804 172.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.437 ' O ' ' HB1' ' A' 2068 ' ' ALA . 50.4 Cg_exo -55.71 -35.39 93.16 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.49 2.793 . . . . 0.7 112.5 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.92 -25.77 65.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.939 -0.573 . . . . 2.96 111.203 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 14.7 t -106.02 14.98 27.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.499 . . . . 1.7 111.419 -173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.1 mm -72.69 112.87 9.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.909 -0.404 . . . . 0.76 109.909 175.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.6 m -73.48 125.75 90.42 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.195 0.521 . . . . 0.42 111.073 -176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.435 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 59.8 Cg_endo -67.56 -32.46 31.17 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.813 3.009 . . . . 0.36 114.257 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.26 -13.54 58.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.18 0.437 . . . . 0.47 112.18 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.6 m -83.6 151.55 25.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.127 0.489 . . . . 0.39 110.493 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -90.61 141.73 28.48 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.656 . . . . 0.32 109.751 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.447 ' HZ ' ' CG2' ' A' 2067 ' ' VAL . 28.3 m-85 -52.13 -31.75 32.41 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.295 0.372 . . . . 0.48 111.291 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -49.89 -55.4 14.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.288 -0.869 . . . . 2.91 110.479 173.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.4 -28.92 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 1.88 111.597 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' 2089 ' ' PHE . 0.5 OUTLIER -66.48 -21.26 66.19 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 122.257 -0.277 . . . . 0.73 111.462 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.83 -9.19 9.16 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.631 -0.795 . . . . 0.27 112.141 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' 2089 ' ' PHE . 28.2 mm -61.54 130.81 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 122.847 0.459 . . . . 0.28 111.603 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -103.42 -169.67 1.68 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.727 -0.842 . . . . 1.07 108.727 173.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -25.82 59.45 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.745 0.783 . . . . 0.85 109.324 174.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' A' 2100 ' ' LEU . 29.5 mt -72.31 -51.38 21.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.332 -1.304 . . . . 1.65 110.661 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -13.73 59.82 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.665 -0.698 . . . . 0.27 111.936 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' 2119 ' ' ILE . . . -59.75 -39.62 85.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.29 110.794 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -73.8 -41.56 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.588 -0.445 . . . . 0.4 110.504 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' 2100 ' ' LEU . 9.4 mm-40 -59.56 -40.1 86.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.046 0.45 . . . . 0.72 111.479 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.1 tt -59.8 -55.02 39.46 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.65 110.655 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.58 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 19.1 ptt-85 -68.52 -22.21 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 2.43 110.868 -177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.47 HD22 ' HA ' ' A' 2101 ' ' GLU . 75.0 m-20 -58.74 -47.03 86.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.554 -0.536 . . . . 0.48 109.554 172.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' 2109 ' ' ASN . 10.1 m -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.51 110.598 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 2102 ' ' LEU . 77.7 mt -56.57 -49.03 76.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 1.13 111.419 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 98.4 m -66.03 -42.76 89.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.418 . . . . 0.81 111.356 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -71.3 -29.84 65.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.222 -0.444 . . . . 2.81 110.65 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.4 t-20 -82.26 -11.62 58.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.83 -0.623 . . . . 2.6 110.836 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 21.8 p -106.22 -40.81 5.52 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.868 0.321 . . . . 1.03 111.868 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 104.06 17.94 14.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.832 -0.699 . . . . 1.05 111.628 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 37.4 mt -91.53 -169.84 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 1.45 110.936 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' A' 2115 ' ' PRO . 26.2 t70 -109.95 134.14 52.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.245 -0.889 . . . . 1.18 109.803 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.99 109.88 4.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 112.995 0.739 . . . . 2.95 112.995 -169.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.49 ' HG2' HD23 ' A' 2118 ' ' LEU . 73.4 Cg_endo -91.85 126.31 0.91 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.016 2.477 . . . . 1.1 111.883 172.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.58 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 40.1 Cg_endo -67.59 -9.4 25.28 Favored 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 122.192 1.928 . . . . 0.75 112.139 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . 0.419 ' HA ' ' HB2' ' A' 2120 ' ' PHE . 2.7 p -101.35 2.36 39.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.604 . . . . 0.86 111.756 -174.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' 2115 ' ' PRO . 1.3 tm? -49.52 -69.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.7 112.034 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2099 ' ' ALA . 35.3 mm -77.37 -16.35 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.435 0.636 . . . . 0.5 110.244 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . 0.419 ' HB2' ' HA ' ' A' 2117 ' ' THR . 2.7 m-30 -71.35 -37.71 71.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.685 -0.688 . . . . 3.49 110.441 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -95.94 -33.35 12.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.799 -0.637 . . . . 2.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -133.37 62.43 60.22 Favored Pre-proline 0 C--N 1.326 -0.436 0 C-N-CA 120.522 -0.471 . . . . 0.71 111.848 -171.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -82.06 103.44 1.31 Allowed 'Trans proline' 0 N--CA 1.443 -1.45 0 CA-C-N 120.88 1.35 . . . . 0.43 111.201 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.95 142.22 0.45 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 114.942 -1.026 . . . . 0.5 108.641 172.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' 2084 ' ' SER . 35.3 Cg_exo -59.72 -55.63 1.62 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 121.837 1.691 . . . . 0.25 111.77 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 83.4 t60 -64.35 -39.46 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.8 111.622 -178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.3 93.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.34 111.445 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.58 -37.45 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.64 110.962 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . . . . . . . . . 56.5 m -53.66 -43.87 69.17 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.164 0.507 . . . . 0.33 110.412 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -68.58 -50.08 54.45 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.187 -0.915 . . . . 2.22 110.752 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.526 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.3 t60 -57.53 -54.18 49.71 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.044 0.449 . . . . 0.59 110.568 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -36.29 80.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.516 -0.766 . . . . 0.48 110.948 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -61.66 -35.13 77.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.27 . . . . 0.67 110.435 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 7.4 m -73.82 -40.35 63.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.476 . . . . 0.74 110.566 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' 2135 ' ' ARG . 2.5 mmp_? -55.09 -50.81 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 3.18 111.822 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.526 HD12 ' HG2' ' A' 2049 ' ' MET . 3.7 mm? -67.22 -39.82 86.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 2.37 112.055 -177.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 37.3 p -71.63 -26.37 62.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.326 0.584 . . . . 1.41 110.087 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -81.78 0.97 36.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.43 -0.805 . . . . 2.57 110.958 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 36.3 m -114.54 39.42 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.307 0.575 . . . . 3.48 109.826 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 39.5 t60 . . . . . 0 C--O 1.246 0.869 0 CA-C-N 115.619 -0.719 . . . . 6.78 110.221 -178.757 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.919 -0.472 . . . . 6.58 111.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' 2049 ' ' MET . 51.0 m -116.29 55.39 0.81 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.838 0.351 . . . . 4.27 110.428 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -74.32 23.6 0.09 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.427 -0.351 . . . . 6.67 111.877 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.482 ' H ' ' C ' ' A' 2047 ' ' SER . 0.0 OUTLIER -40.09 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.128 1.159 . . . . 3.75 114.128 -177.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -113.69 -1.34 14.02 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 112.507 0.558 . . . . 9.54 112.507 -173.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.648 HD11 HD11 ' A' 2063 ' ' LEU . 73.4 mt -120.43 21.8 11.51 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.594 -0.442 . . . . 6.31 111.936 -174.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.32 117.26 10.72 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.638 -0.425 . . . . 4.71 110.042 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 77.06 10.02 86.47 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.965 -0.561 . . . . 3.43 112.871 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.0 144.22 28.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.075 0.464 . . . . 3.31 110.997 -178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.583 ' O ' ' HG3' ' A' 2059 ' ' GLN . 11.1 t -83.26 145.63 49.19 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.445 -0.798 . . . . 2.08 109.2 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.507 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 51.7 Cg_exo -38.4 -49.97 2.34 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 124.071 3.181 . . . . 1.78 114.53 -176.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' 2061 ' ' GLN . 30.6 tt0 -65.94 -44.78 84.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 120.858 0.361 . . . . 2.4 110.893 -178.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.35 -35.02 74.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 2.4 110.546 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.604 ' O ' HD13 ' A' 2063 ' ' LEU . 45.7 mt-30 -65.84 -44.71 84.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.475 -0.784 . . . . 2.83 110.7 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -57.27 -39.41 75.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.705 -0.225 . . . . 1.38 111.172 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' 2057 ' ' GLN . 42.4 mt-30 -57.42 -48.8 78.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.532 0.682 . . . . 1.97 109.944 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 93.8 m -54.29 -60.08 3.81 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.373 -1.285 . . . . 0.83 111.112 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.648 HD11 HD11 ' A' 2051 ' ' LEU . 6.7 mp -59.92 -37.41 79.37 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.783 -0.644 . . . . 0.92 112.303 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.92 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.37 110.941 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.8 m -86.89 -36.44 18.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.916 -0.584 . . . . 0.42 109.459 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.7 tp -58.01 -62.15 2.03 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.433 -0.803 . . . . 0.37 111.19 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -55.45 -38.21 48.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.961 -0.563 . . . . 0.64 111.281 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.15 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.391 -0.368 . . . . 0.29 110.56 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.47 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.55 -34.13 75.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.103 0.477 . . . . 0.29 110.427 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.634 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.29 -55.43 28.36 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.519 -0.764 . . . . 0.34 110.442 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.444 ' OG1' HD11 ' A' 2094 ' ' ILE . 6.4 t -69.56 -31.44 69.62 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.282 0.563 . . . . 0.38 110.843 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.513 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.55 -20.83 61.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.916 -0.584 . . . . 0.54 110.753 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 98.3 m -82.59 -40.27 21.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.445 -0.343 . . . . 0.6 111.077 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -66.47 -40.63 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.466 0.65 . . . . 0.78 109.856 -177.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.3 mt -90.92 -36.11 14.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.232 -0.895 . . . . 1.24 111.885 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 59.69 80.48 0.09 OUTLIER Glycine 0 C--N 1.329 0.164 0 C-N-CA 120.772 -0.728 . . . . 1.3 111.416 -175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.32 -3.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.403 0.89 . . . . 2.09 113.403 -169.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' 2083 ' ' ILE . 11.1 t60 -160.39 139.48 10.64 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.708 -0.797 . . . . 5.96 111.997 -170.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 62.6 m -67.53 120.47 73.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.924 -0.58 . . . . 1.52 109.498 171.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.47 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 53.9 Cg_exo -55.0 -29.25 63.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.385 2.723 . . . . 0.7 112.779 -175.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.08 -22.65 66.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 2.96 110.854 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 39.8 t -110.44 17.76 20.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.788 -0.642 . . . . 1.7 111.301 -172.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' 2072 ' ' ALA . 6.9 mt -87.26 118.39 33.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.033 -0.417 . . . . 0.76 110.393 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.405 ' HB2' ' OG1' ' A' 2087 ' ' THR . 44.7 m -75.77 132.48 74.68 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.746 -0.661 . . . . 0.42 111.646 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.543 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 58.3 Cg_endo -70.08 -31.23 19.47 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.636 2.891 . . . . 0.36 113.133 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.77 -13.86 60.64 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.167 -0.47 . . . . 0.47 111.601 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' 2084 ' ' SER . 8.2 m -79.28 157.81 27.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.293 0.568 . . . . 0.39 110.692 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -100.13 147.78 25.31 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.307 -0.861 . . . . 0.32 109.535 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 10.3 m-85 -62.3 -27.15 68.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.48 110.057 176.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -54.16 30.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 2.91 109.767 171.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.08 -40.94 74.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.848 -1.069 . . . . 1.88 111.492 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.47 -20.47 66.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.526 0.565 . . . . 0.73 112.526 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 120.48 10.94 6.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.19 -1.005 . . . . 0.27 113.841 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 25.1 mm -73.96 122.35 26.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.206 0.526 . . . . 0.28 111.636 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . 0.456 ' HB2' HD12 ' A' 2097 ' ' LEU . 48.7 m-20 -105.89 -164.18 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.947 -0.76 . . . . 1.07 108.947 173.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . 0.45 ' HA ' ' O1 ' ' A' 2201 ' ' 66S . 1.2 p -74.75 -37.62 62.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.21 0.529 . . . . 0.85 111.478 -176.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.655 ' O ' ' HG ' ' A' 2100 ' ' LEU . 0.0 OUTLIER -73.6 -40.83 63.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.437 -0.801 . . . . 1.65 110.689 -176.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -80.51 -15.2 57.28 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.904 -0.589 . . . . 0.27 112.154 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.3 -44.39 97.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.028 0.442 . . . . 0.29 110.22 173.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -70.05 -39.4 75.72 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.4 110.038 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -59.58 -40.97 89.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.143 -0.481 . . . . 0.72 111.526 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.52 HD23 ' HB1' ' A' 2070 ' ' ALA . 1.4 tt -60.37 -54.55 44.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.65 110.497 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.574 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.1 ptt-85 -63.66 -33.14 74.96 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.542 -0.54 . . . . 2.43 109.542 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.435 HD22 ' HA ' ' A' 2101 ' ' GLU . 93.0 m-20 -55.14 -52.28 63.77 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.072 0.463 . . . . 0.48 110.028 174.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 24.9 m -60.1 -51.84 67.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.582 -0.735 . . . . 0.51 111.623 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 2102 ' ' LEU . 2.7 pp -72.9 -22.37 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.739 -0.384 . . . . 1.13 111.939 -176.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 97.0 m -73.35 -41.79 63.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.896 0.379 . . . . 0.81 110.131 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -62.48 -32.72 73.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.275 -0.42 . . . . 2.81 110.534 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.11 -50.14 36.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 2.6 110.839 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.547 HG21 HD12 ' A' 2132 ' ' LEU . 17.5 p -70.17 -38.51 75.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.868 -0.605 . . . . 1.03 111.652 -174.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 100.2 -29.15 12.81 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.816 -0.707 . . . . 1.05 112.481 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.69 -173.14 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.809 0.338 . . . . 1.45 111.116 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 34.0 t70 -105.45 131.3 53.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.176 -0.466 . . . . 1.18 111.469 -173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.44 142.85 41.45 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 2.95 110.66 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' 2118 ' ' LEU . 38.9 Cg_endo -67.66 151.94 78.58 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.374 2.716 . . . . 1.1 113.451 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.574 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 57.0 Cg_endo -70.87 -2.71 11.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.125 2.55 . . . . 0.75 111.94 176.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.1 p -100.43 3.46 43.1 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.364 -0.834 . . . . 0.86 109.789 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' 2115 ' ' PRO . 0.6 OUTLIER -40.05 -64.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.392 -1.276 . . . . 0.7 112.783 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' 2099 ' ' ALA . 34.9 mm -80.58 -8.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.5 110.589 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -80.22 -40.34 27.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.807 -0.633 . . . . 3.49 109.964 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -86.51 -44.09 12.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 2.0 111.953 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -130.22 63.35 68.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.71 111.983 -171.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -81.43 104.4 1.49 Allowed 'Trans proline' 0 N--CA 1.449 -1.129 0 CA-C-N 120.899 1.357 . . . . 0.43 111.393 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.21 144.88 0.58 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.983 -1.008 . . . . 0.5 108.693 172.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.493 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 37.8 Cg_exo -59.21 -58.65 0.59 Allowed 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 121.748 1.632 . . . . 0.25 111.755 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.634 ' O ' ' HB ' ' A' 2129 ' ' THR . 78.4 t60 -63.38 -38.03 89.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.957 -0.565 . . . . 0.8 111.653 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.95 84.77 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.181 -0.208 . . . . 0.34 111.41 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' 2128 ' ' LEU . 21.5 mt -60.82 -37.35 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.836 -0.346 . . . . 0.64 110.399 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.634 ' HB ' ' O ' ' A' 2126 ' ' HIS . 96.3 m -53.17 -42.71 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 0.33 110.451 174.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 2126 ' ' HIS . 21.0 mt-30 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.393 -0.822 . . . . 2.22 110.017 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.624 ' O ' ' HG2' ' A' 2135 ' ' ARG . 80.7 t60 -58.94 -54.8 43.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.57 . . . . 0.59 110.72 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.547 HD12 HG21 ' A' 2110 ' ' THR . 3.6 mm? -62.29 -34.6 76.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.623 . . . . 0.48 111.362 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . 0.711 ' O ' ' HB ' ' A' 2137 ' ' THR . 17.2 t-80 -64.84 -45.25 86.92 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 109.03 -0.73 . . . . 0.67 109.03 177.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.622 ' O ' ' HB3' ' A' 2138 ' ' GLN . 17.5 m -64.77 -17.28 64.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.982 -0.554 . . . . 0.74 111.477 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 2131 ' ' HIS . 4.6 mmp_? -76.75 -68.5 0.59 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.341 -0.849 . . . . 3.18 111.721 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.617 HD23 HD12 ' A' 2051 ' ' LEU . 1.9 tp -78.44 -36.8 44.96 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.343 -0.389 . . . . 2.37 111.467 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . 0.711 ' HB ' ' O ' ' A' 2133 ' ' HIS . 58.0 m -74.64 -38.76 62.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.082 0.468 . . . . 1.41 111.131 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.622 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.1 OUTLIER -77.16 -18.08 58.11 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.43 -0.582 . . . . 2.57 109.43 172.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 23.3 t 54.34 83.77 0.07 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.628 -0.714 . . . . 3.48 111.77 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 2.7 p80 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.161 -0.924 . . . . 6.78 109.831 178.373 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.45 ' O1 ' ' HA ' ' A' 2096 ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.527 -0.629 . . . . 6.58 111.527 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' 2052 ' ' ASN . 19.9 m -96.98 -171.21 2.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.823 0.344 . . . . 4.27 110.759 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -75.87 -45.16 37.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.317 -0.401 . . . . 6.67 111.285 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.553 ' HG2' HD13 ' A' 2136 ' ' LEU . 26.4 mmt -106.25 -84.43 0.51 Allowed 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 118.839 -1.144 . . . . 3.75 112.462 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' 2049 ' ' MET . 3.9 mpt_? -121.83 -60.59 1.58 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 121.619 0.723 . . . . 9.54 112.391 174.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' 2051 ' ' LEU . 3.3 mm? -128.29 26.16 5.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.744 -1.116 . . . . 6.31 112.028 -174.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.444 ' HB3' ' HB3' ' A' 2047 ' ' SER . 66.1 t30 -38.22 151.14 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.628 0.973 . . . . 4.71 113.628 -168.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.48 22.19 6.2 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 109.776 -1.33 . . . . 3.43 109.776 -165.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.404 ' HB2' ' HG2' ' A' 2059 ' ' GLN . 76.6 mt -97.56 169.06 9.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.25 -0.975 . . . . 3.31 111.015 -178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 22.7 m -77.04 156.21 82.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.012 -0.736 . . . . 2.08 109.012 171.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -38.34 -56.52 1.03 Allowed 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 123.878 3.052 . . . . 1.78 114.413 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.45 -36.46 76.65 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.716 0.294 . . . . 2.4 111.651 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -62.01 -33.03 73.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.533 0.683 . . . . 2.4 110.293 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.68 ' O ' HD13 ' A' 2063 ' ' LEU . 59.5 mt-30 -72.87 -53.21 11.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.54 -0.755 . . . . 2.83 110.137 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.61 -41.38 73.38 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 113.059 0.763 . . . . 1.38 113.059 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -58.8 -38.45 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.533 . . . . 1.97 110.452 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' 2059 ' ' GLN . 73.3 m -60.87 -58.4 8.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.555 -0.748 . . . . 0.83 110.762 174.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' 2059 ' ' GLN . 6.2 mp -57.73 -40.21 79.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.815 . . . . 0.92 111.988 -178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.47 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.906 0.384 . . . . 0.37 110.793 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 28.2 m -83.73 -37.09 23.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 0.42 109.618 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.3 tp -58.34 -62.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.39 -0.823 . . . . 0.37 110.97 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' 2063 ' ' LEU . 7.0 p -55.2 -39.4 51.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.64 111.326 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' 2071 ' ' THR . . . -60.04 -57.79 11.31 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.29 110.471 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.01 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.29 111.076 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.612 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.92 -54.1 43.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.914 -0.585 . . . . 0.34 110.773 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.401 HG22 ' O ' ' A' 2068 ' ' ALA . 5.8 t -70.81 -24.49 62.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 0.38 110.117 -177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.828 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -71.79 -19.88 61.94 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.703 -1.135 . . . . 0.54 110.696 174.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 43.8 m -91.0 -37.41 13.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.6 111.312 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -71.57 -46.69 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.177 0.513 . . . . 0.78 109.833 -178.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.551 ' HB2' ' CD2' ' A' 2077 ' ' HIS . 56.4 mt -91.65 171.02 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.664 -0.698 . . . . 1.24 111.064 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -96.36 65.36 1.08 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.193 -0.527 . . . . 1.3 112.718 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' 2075 ' ' LEU . 17.4 p80 -155.0 55.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.021 -0.733 . . . . 2.09 109.021 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.828 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 39.5 t-80 -77.48 68.24 3.54 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.015 0.912 . . . . 5.96 112.723 -168.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' 2081 ' ' GLU . 19.1 m -138.72 94.45 10.33 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 114.586 -1.188 . . . . 1.52 107.888 164.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.02 -19.69 69.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.788 2.325 . . . . 0.7 111.786 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . 0.45 ' HB3' HG22 ' A' 2079 ' ' THR . 39.1 tt0 -61.05 -34.93 75.65 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 115.138 -0.937 . . . . 2.96 111.18 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.9 t -89.34 1.92 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.987 -0.551 . . . . 1.7 110.872 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' 2072 ' ' ALA . 31.0 mt -88.76 114.36 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.152 -0.477 . . . . 0.76 110.338 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.52 ' HB2' ' OG1' ' A' 2087 ' ' THR . 14.6 m -83.69 131.83 50.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.42 110.185 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.531 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 38.1 Cg_endo -63.6 -30.5 70.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.516 2.811 . . . . 0.36 113.446 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -91.36 0.73 57.47 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.658 0.614 . . . . 0.47 112.658 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' 2084 ' ' SER . 3.0 m -87.14 145.7 26.32 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.349 -0.54 . . . . 0.39 110.259 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -84.31 137.37 33.48 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.518 -0.764 . . . . 0.32 109.681 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.401 ' O ' ' HB ' ' A' 2094 ' ' ILE . 12.3 m-85 -53.37 -29.25 33.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.888 -0.596 . . . . 0.48 111.853 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -48.29 69.53 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.165 0.507 . . . . 2.91 109.891 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.61 -35.57 77.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.88 111.539 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.68 -22.1 64.4 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 121.116 -0.234 . . . . 0.73 111.484 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.88 -0.41 9.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.114 -1.041 . . . . 0.27 112.572 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' 2089 ' ' PHE . 28.3 mm -64.22 124.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.873 0.368 . . . . 0.28 111.208 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -99.28 -165.51 1.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.046 -0.724 . . . . 1.07 109.046 173.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -19.77 54.48 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.662 -0.866 . . . . 0.85 108.662 171.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.734 ' O ' ' HG ' ' A' 2100 ' ' LEU . 27.5 mt -73.35 -60.15 2.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.269 -1.332 . . . . 1.65 110.727 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -8.02 54.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.831 -0.622 . . . . 0.27 111.88 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -67.26 -43.76 81.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.29 110.36 174.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.9 pp -69.87 -37.22 76.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.748 -0.381 . . . . 0.4 110.087 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.56 ' N ' HD12 ' A' 2100 ' ' LEU . 7.6 mm-40 -59.6 -40.51 87.72 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.72 111.288 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.5 OUTLIER -61.4 -47.52 85.43 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.262 -0.426 . . . . 0.65 110.001 176.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' 2099 ' ' ALA . 25.5 mtm-85 -59.09 -46.05 89.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.738 -0.467 . . . . 2.43 109.738 176.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.409 HD22 ' HA ' ' A' 2101 ' ' GLU . 96.1 m-20 -50.39 -47.31 56.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.77 -0.65 . . . . 0.48 110.659 176.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 9.9 m -68.31 -46.25 70.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.612 -0.722 . . . . 0.51 110.743 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 2102 ' ' LEU . 93.2 mt -63.48 -45.51 90.43 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.154 -0.475 . . . . 1.13 111.34 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 26.3 m -56.52 -44.2 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.219 0.533 . . . . 0.81 110.87 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 82.7 t60 -68.22 -22.62 64.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.668 -0.696 . . . . 2.81 111.231 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -102.29 -13.05 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.374 0.509 . . . . 2.6 112.374 -174.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.429 HG22 ' SD ' ' A' 2049 ' ' MET . 49.9 p -103.38 -16.37 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.289 0.566 . . . . 1.03 111.072 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 90.32 -33.32 4.58 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.73 -0.668 . . . . 1.05 113.554 173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' 2112 ' ' LEU . 0.3 OUTLIER -104.8 -178.65 3.72 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.237 0.541 . . . . 1.45 111.909 -178.249 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.25 156.59 31.34 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.944 -1.025 . . . . 1.18 110.949 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.5 tp -140.54 133.52 14.74 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.197 -0.456 . . . . 2.95 109.982 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.563 ' O ' ' HB2' ' A' 2118 ' ' LEU . 51.8 Cg_endo -70.23 149.8 64.43 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.019 2.479 . . . . 1.1 113.093 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.5 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 56.5 Cg_endo -70.92 -8.25 23.21 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.996 2.464 . . . . 0.75 112.431 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 9.9 p -100.24 4.72 44.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.111 -0.495 . . . . 0.86 110.384 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.32 -65.05 0.51 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.026 -0.988 . . . . 0.7 112.463 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.433 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 35.8 mm -77.39 -28.14 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.206 0.527 . . . . 0.5 110.311 -177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.27 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.724 -0.671 . . . . 3.49 110.582 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 7.3 t0 -82.67 -49.3 9.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.118 -0.946 . . . . 2.0 111.803 -174.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 2.8 m-70 -125.02 65.93 49.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.6 -0.44 . . . . 0.71 111.975 -170.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.38 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 CA-C-N 120.664 1.273 . . . . 0.43 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.71 143.97 0.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.35 -0.981 . . . . 0.5 108.35 172.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.531 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.2 Cg_exo -58.08 -59.13 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 121.715 1.61 . . . . 0.25 111.477 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.58 ' O ' ' HB ' ' A' 2129 ' ' THR . 70.4 t60 -66.13 -32.48 73.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.85 -0.614 . . . . 0.8 112.226 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.82 72.12 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.794 -0.363 . . . . 0.34 110.938 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' 2128 ' ' LEU . 29.2 mt -61.27 -36.22 79.44 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.911 -0.316 . . . . 0.64 110.246 171.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' 2126 ' ' HIS . 52.9 m -52.96 -37.19 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.33 110.68 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' 2126 ' ' HIS . 37.0 mt-30 -71.54 -45.4 62.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.525 -0.761 . . . . 2.22 110.124 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 63.5 t60 -66.07 -45.17 82.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.59 110.614 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' 2135 ' ' ARG . 3.2 mm? -73.18 -20.5 60.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.358 -0.383 . . . . 0.48 111.023 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -71.6 -29.88 65.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.415 -0.587 . . . . 0.67 109.415 173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 2138 ' ' GLN . 25.9 m -69.56 -43.06 73.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.74 109.594 173.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' 2138 ' ' GLN . 26.4 mmm180 -60.83 -40.04 91.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.675 -0.693 . . . . 3.18 109.966 176.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.553 HD13 ' HG2' ' A' 2049 ' ' MET . 12.7 tp -68.03 -43.16 79.36 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.434 -0.803 . . . . 2.37 111.966 178.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 11.0 p -71.98 -10.46 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 1.41 111.036 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' 2135 ' ' ARG . 11.6 mm100 -68.96 -18.52 64.09 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.808 -0.633 . . . . 2.57 110.155 170.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 10.2 t 61.69 -157.95 0.33 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.056 -0.975 . . . . 3.48 111.242 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.957 -0.544 . . . . 6.78 109.722 177.465 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.795 -0.522 . . . . 6.58 111.795 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 19.1 m -137.96 33.86 2.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 4.27 111.089 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.748 ' HA ' HD21 ' A' 2051 ' ' LEU . 64.6 m170 -93.51 20.8 6.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.692 0.758 . . . . 6.67 110.443 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 18.9 ptt? -56.89 -36.56 70.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.329 -1.305 . . . . 3.75 113.645 -176.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -110.25 2.01 18.98 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 113.325 0.861 . . . . 9.54 113.325 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.748 HD21 ' HA ' ' A' 2048 ' ' HIS . 0.1 OUTLIER -102.32 22.53 13.2 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.259 -0.576 . . . . 6.31 111.473 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.78 117.69 8.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.685 -0.487 . . . . 4.71 109.685 175.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 76.62 -30.27 1.48 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.136 -0.554 . . . . 3.43 113.317 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' 2058 ' ' GLN . 80.9 mt -78.97 140.97 37.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.392 0.615 . . . . 3.31 111.91 -176.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' 2056 ' ' PRO . 35.8 p -92.66 169.04 11.29 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.228 -1.027 . . . . 2.08 108.228 169.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' 2055 ' ' SER . 49.8 Cg_exo -40.85 -45.34 4.9 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.99 2.46 . . . . 1.78 114.244 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -75.78 -39.91 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.596 0.236 . . . . 2.4 111.401 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.64 ' HB3' HD22 ' A' 2054 ' ' LEU . 15.0 mm-40 -59.36 -34.35 72.28 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.37 0.605 . . . . 2.4 110.226 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.557 ' NE2' ' HB3' ' A' 2051 ' ' LEU . 50.5 mt-30 -63.98 -57.36 9.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.461 -0.79 . . . . 2.83 110.674 175.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -49.77 -43.11 48.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.047 0.758 . . . . 1.38 113.047 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.01 -36.95 75.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.994 -0.682 . . . . 1.97 110.931 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 55.2 m -58.61 -57.9 10.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.83 110.665 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.609 ' O ' HG12 ' A' 2067 ' ' VAL . 7.7 mp -57.55 -40.05 78.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.626 -0.715 . . . . 0.92 111.37 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.45 69.94 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.389 0.431 . . . . 0.37 110.753 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 67.7 m -79.16 -34.85 42.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.286 0.565 . . . . 0.42 109.546 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 14.1 tp -62.83 -64.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.46 -0.791 . . . . 0.37 110.807 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' 2063 ' ' LEU . 7.6 p -54.86 -39.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.64 111.355 -178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.58 -56.47 21.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.507 -0.315 . . . . 0.29 110.511 174.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.435 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -60.15 -34.43 73.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.899 0.38 . . . . 0.29 110.186 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.19 -56.18 23.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.479 -0.782 . . . . 0.34 110.782 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.477 ' OG1' HD11 ' A' 2094 ' ' ILE . 9.9 t -68.31 -29.66 68.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.205 0.526 . . . . 0.38 110.955 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.967 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -73.31 -19.11 61.11 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.638 -0.71 . . . . 0.54 110.779 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 39.5 m -84.99 -31.85 23.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.285 -0.416 . . . . 0.6 110.643 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -73.08 -37.71 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.437 0.637 . . . . 0.78 109.547 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.437 HD21 HD13 ' A' 2094 ' ' ILE . 74.6 mt -87.96 -175.1 4.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.314 -0.857 . . . . 1.24 111.257 178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -79.59 -57.93 3.0 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.716 -0.754 . . . . 1.3 111.748 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 32.1 p80 -60.73 140.55 57.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.923 -0.399 . . . . 2.09 109.923 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.967 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 43.1 t-80 -140.78 69.35 1.34 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.724 0.773 . . . . 5.96 111.469 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.426 ' O ' HG13 ' A' 2083 ' ' ILE . 28.1 m -122.73 97.43 44.26 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.027 -0.988 . . . . 1.52 108.369 166.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 17.1 Cg_exo -67.01 -16.57 49.81 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.37 2.047 . . . . 0.7 111.156 -175.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . 0.411 ' HB3' HG22 ' A' 2079 ' ' THR . 32.7 tt0 -68.2 -44.19 76.4 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 114.652 -1.158 . . . . 2.96 111.325 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 59.5 p -77.53 -18.27 57.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.621 -0.718 . . . . 1.7 110.932 -173.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.8 mt -67.93 97.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.046 -0.979 . . . . 0.76 110.495 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.511 ' HB2' ' OG1' ' A' 2087 ' ' THR . 15.6 m -79.17 131.67 65.44 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.645 -0.707 . . . . 0.42 111.03 -175.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.553 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 30.7 Cg_endo -62.22 -32.06 82.46 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.651 2.9 . . . . 0.36 113.16 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.93 -15.42 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.47 111.561 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.529 ' O ' HG22 ' A' 2124 ' ' THR . 2.6 m -84.92 148.95 25.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.186 0.517 . . . . 0.39 110.513 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.404 ' HA ' HG22 ' A' 2124 ' ' THR . . . -86.78 143.57 27.46 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.238 -0.892 . . . . 0.32 110.005 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.419 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 14.2 m-85 -52.79 -32.22 42.72 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.44 0.462 . . . . 0.48 110.824 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -49.67 -61.11 2.3 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.634 0.731 . . . . 2.91 110.503 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.492 ' HB2' HG22 ' A' 2087 ' ' THR . 12.6 m-20 -59.86 -34.69 73.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.307 -1.315 . . . . 1.88 111.868 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.8 OUTLIER -67.48 -22.17 65.48 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 121.048 -0.261 . . . . 0.73 111.652 179.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.71 -7.19 7.86 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.642 -0.79 . . . . 0.27 112.558 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.477 HD11 ' OG1' ' A' 2071 ' ' THR . 27.9 mm -63.09 126.61 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.28 112.036 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -103.91 -166.84 1.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.427 -0.953 . . . . 1.07 108.427 171.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -72.86 -31.57 64.83 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.69 0.757 . . . . 0.85 109.468 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' 2100 ' ' LEU . 21.9 mt -63.08 -59.87 4.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.593 -1.185 . . . . 1.65 110.785 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.429 ' HB ' HG23 ' A' 2074 ' ' VAL . 1.2 p -74.0 -9.86 59.06 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.247 -0.888 . . . . 0.27 112.626 -176.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.54 -41.86 97.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.428 . . . . 0.29 110.443 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -75.43 -34.25 60.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.238 -0.437 . . . . 0.4 110.771 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' 2100 ' ' LEU . 5.8 mm-40 -61.36 -37.43 83.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.72 111.087 178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' 2071 ' ' THR . 0.6 OUTLIER -63.9 -50.1 70.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.548 -0.538 . . . . 0.65 109.548 175.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.732 ' HG2' HD12 ' A' 2118 ' ' LEU . 42.2 mtm105 -54.05 -45.27 71.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.214 -0.903 . . . . 2.43 109.46 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -53.15 -49.69 66.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.519 -0.764 . . . . 0.48 111.111 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 34.9 m -63.56 -55.71 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.565 -0.743 . . . . 0.51 112.418 -173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' 2102 ' ' LEU . 1.9 pp -68.27 -20.3 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.808 -0.357 . . . . 1.13 111.913 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.551 ' OG1' ' HG ' ' A' 2114 ' ' LEU . 91.6 m -73.56 -33.03 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.059 0.457 . . . . 0.81 110.49 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.19 -18.74 61.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.312 0.577 . . . . 2.81 109.937 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -93.16 -21.19 19.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 2.6 111.491 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 9.7 p -103.34 -41.63 5.97 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.91 -0.316 . . . . 1.03 111.775 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.7 73.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 1.05 112.489 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.7 pp -91.88 -171.07 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.802 0.334 . . . . 1.45 110.821 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -112.21 116.68 30.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.96 -0.564 . . . . 1.18 110.654 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' 2103 ' ' ARG . 0.0 OUTLIER -99.21 161.63 24.08 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.428 -0.806 . . . . 2.95 111.641 -170.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -91.85 147.56 3.22 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.795 2.997 . . . . 1.1 113.19 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.521 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 40.9 Cg_endo -68.91 -2.43 9.54 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.64 2.227 . . . . 0.75 111.892 174.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 6.4 p -95.38 -0.81 52.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.87 -0.605 . . . . 0.86 112.209 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.732 HD12 ' HG2' ' A' 2103 ' ' ARG . 4.9 mt -40.3 -70.41 0.1 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.954 0.724 . . . . 0.7 112.954 176.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 10.6 mm -83.22 -1.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.786 0.803 . . . . 0.5 110.208 -172.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -88.39 -49.17 7.11 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.41 -0.814 . . . . 3.49 110.064 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -98.14 -37.53 9.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 2.0 111.565 -173.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -120.29 44.2 0.66 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 118.828 -0.606 . . . . 0.71 112.544 -171.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.676 ' O ' HG23 ' A' 2124 ' ' THR . 63.8 Cg_endo -82.32 106.53 1.56 Allowed 'Trans proline' 0 N--CA 1.446 -1.31 0 CA-C-N 121.258 1.485 . . . . 0.43 113.09 -175.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.676 HG23 ' O ' ' A' 2123 ' ' PRO . 5.9 p -176.45 160.77 1.75 Allowed Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 105.026 -2.213 . . . . 0.5 105.026 163.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' 2067 ' ' VAL . 31.9 Cg_exo -56.74 -36.41 98.45 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 CA-C-N 120.583 1.244 . . . . 0.25 110.63 172.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' 2085 ' ' PRO . 82.8 t60 -77.59 -50.58 12.24 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.709 -0.678 . . . . 0.8 112.339 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.748 0.308 . . . . 0.34 111.186 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.526 HD11 HD13 ' A' 2118 ' ' LEU . 6.0 tp -67.46 -39.25 85.33 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.811 0.339 . . . . 0.64 110.159 176.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' 2063 ' ' LEU . 32.9 m -54.64 -45.45 73.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.738 -0.664 . . . . 0.33 110.984 174.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' 2126 ' ' HIS . 7.2 mm100 -56.29 -45.76 80.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.774 -0.648 . . . . 2.22 111.203 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.42 -49.62 73.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.217 -0.447 . . . . 0.59 110.771 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.7 mm? -70.03 -24.44 63.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.016 -0.538 . . . . 0.48 111.397 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -70.72 -36.33 73.14 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.476 -0.565 . . . . 0.67 109.476 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -29.94 68.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.68 -0.691 . . . . 0.74 109.932 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' 2139 ' ' SER . 7.9 mmm180 -62.44 -27.85 69.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 3.18 110.591 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.549 ' HB3' HD22 ' A' 2051 ' ' LEU . 87.9 mt -93.06 -41.16 10.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.714 -0.676 . . . . 2.37 111.833 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 35.8 p -89.19 -38.83 13.98 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.221 0.534 . . . . 1.41 110.706 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.38 -23.96 19.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.421 -0.809 . . . . 2.57 110.74 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' 2135 ' ' ARG . 12.5 t 65.12 -160.92 0.28 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.569 -0.741 . . . . 3.48 110.6 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.488 -0.768 . . . . 6.78 109.822 177.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.968 0 N-CA-C 112.425 -0.27 . . . . 6.58 112.425 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.426 ' HB3' HD22 ' A' 2136 ' ' LEU . 7.4 m -130.35 30.1 4.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.075 0.464 . . . . 4.27 111.169 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.403 ' O ' ' HD2' ' A' 2050 ' ' ARG . 39.7 m170 -87.0 23.14 1.83 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.001 0.905 . . . . 6.67 110.114 176.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . . . . . . . . . 21.2 ptt? -76.3 22.67 0.16 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.489 -1.232 . . . . 3.75 112.204 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.451 ' HB3' ' HA ' ' A' 2137 ' ' THR . 0.0 OUTLIER -49.59 -53.41 24.01 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.968 0.729 . . . . 9.54 112.968 -168.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -122.49 12.45 10.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.991 -0.284 . . . . 6.31 111.443 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.5 115.44 16.25 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.633 -0.427 . . . . 4.71 111.26 -173.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 64.82 -11.74 0.25 Allowed Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.901 -0.591 . . . . 3.43 114.523 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' 2059 ' ' GLN . 0.0 OUTLIER -100.99 131.86 46.67 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.225 0.535 . . . . 3.31 111.98 -172.502 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.572 ' O ' HD12 ' A' 2054 ' ' LEU . 22.2 t -99.63 143.05 25.72 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 107.263 -1.384 . . . . 2.08 107.263 167.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.456 ' O ' ' HG3' ' A' 2060 ' ' GLN . 56.5 Cg_exo -35.74 -49.34 1.03 Allowed 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 124.062 3.175 . . . . 1.78 115.571 -167.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -66.63 -27.39 67.65 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.356 0.502 . . . . 2.4 112.356 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.44 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 14.5 mm-40 -59.61 -50.69 72.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.884 0.373 . . . . 2.4 111.739 -176.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.684 ' HG3' HD22 ' A' 2054 ' ' LEU . 8.2 mm100 -73.78 -34.17 64.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.207 -0.597 . . . . 2.83 110.983 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' 2056 ' ' PRO . 74.6 mt-30 -58.91 -42.28 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.657 -0.417 . . . . 1.38 111.866 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -68.4 -39.55 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.121 -0.632 . . . . 1.97 110.275 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 90.4 m -56.46 -60.27 3.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.674 . . . . 0.83 110.813 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.67 HD13 ' O ' ' A' 2059 ' ' GLN . 5.2 mp -59.37 -37.55 78.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.818 -0.628 . . . . 0.92 112.216 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.8 -32.43 74.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.117 0.484 . . . . 0.37 110.739 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 29.4 m -82.75 -34.64 27.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.272 -0.64 . . . . 0.42 109.272 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 12.7 tp -57.67 -60.83 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.36 -0.836 . . . . 0.37 110.801 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.503 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.2 p -55.48 -42.22 66.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.951 -0.568 . . . . 0.64 111.399 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.66 -52.9 61.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.322 -0.399 . . . . 0.29 110.737 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.493 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.99 -29.37 70.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.766 0.317 . . . . 0.29 110.532 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.691 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.3 -62.52 1.63 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.581 -0.525 . . . . 0.34 109.581 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.522 ' HB ' HD11 ' A' 2102 ' ' LEU . 12.1 t -64.36 -34.27 77.77 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.295 0.569 . . . . 0.38 110.946 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -66.85 -27.6 67.67 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.627 -0.715 . . . . 0.54 110.957 179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 52.9 m -90.81 -34.19 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.059 0.392 . . . . 0.6 112.059 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.35 -35.44 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.882 -0.784 . . . . 0.78 108.882 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.496 HD23 HG21 ' A' 2098 ' ' THR . 60.9 mt -90.4 -39.63 12.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.353 -1.294 . . . . 1.24 111.102 173.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 63.91 79.09 0.17 Allowed Glycine 0 C--N 1.328 0.115 0 N-CA-C 110.929 -0.868 . . . . 1.3 110.929 -175.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.51 -4.9 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.766 1.025 . . . . 2.09 113.766 -167.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.416 ' CD2' HG12 ' A' 2083 ' ' ILE . 27.1 t60 -156.25 145.41 20.55 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 119.855 -0.738 . . . . 5.96 111.991 -166.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 91.5 m -73.46 117.28 59.25 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.756 -0.656 . . . . 1.52 109.706 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.493 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 61.6 Cg_exo -53.92 -34.23 75.46 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.412 2.741 . . . . 0.7 112.762 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.52 -25.65 67.42 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.147 -0.479 . . . . 2.96 111.109 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 17.2 t -102.07 19.24 18.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.138 -0.483 . . . . 1.7 111.023 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.8 mt -89.56 117.74 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.116 0.484 . . . . 0.76 110.569 175.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' 2125 ' ' PRO . 27.8 m -75.74 131.33 76.9 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.42 111.26 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.487 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.2 Cg_endo -66.16 -30.58 46.38 Favored 'Trans proline' 0 N--CA 1.471 0.183 0 C-N-CA 123.79 2.993 . . . . 0.36 113.918 -172.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.46 -3.42 57.67 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.766 0.654 . . . . 0.47 112.766 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 3.4 m -84.37 150.49 25.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.632 0.73 . . . . 0.39 111.048 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.29 136.03 33.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.968 -1.015 . . . . 0.32 109.457 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 29.8 m-85 -52.47 -29.7 26.14 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.48 111.979 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.601 ' HB2' ' C43' ' A' 2201 ' ' 66S . 9.9 ttpt -51.08 -57.8 7.74 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.465 0.478 . . . . 2.91 110.849 172.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.413 ' N ' ' HG2' ' A' 2090 ' ' LYS . 16.6 t70 -54.26 -39.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 1.88 112.095 177.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.0 OUTLIER -69.01 -21.16 64.15 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.712 0.264 . . . . 0.73 111.712 -178.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 127.12 6.41 5.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.716 -0.754 . . . . 0.27 112.657 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.502 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 46.1 mm -84.09 138.86 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.959 0.409 . . . . 0.28 111.828 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' A' 2096 ' ' SER . 26.8 t0 -139.32 -163.51 1.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.462 -0.94 . . . . 1.07 108.462 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . 0.47 ' H ' ' CG ' ' A' 2095 ' ' ASP . 0.2 OUTLIER -55.24 -36.86 66.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.35 0.595 . . . . 0.85 111.763 -175.234 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.707 ' O ' ' HG ' ' A' 2100 ' ' LEU . 15.9 tp -63.87 -60.27 3.49 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.819 -1.082 . . . . 1.65 111.78 -177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.496 HG21 HD23 ' A' 2075 ' ' LEU . 8.3 p -82.17 -12.26 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.94 -0.573 . . . . 0.27 112.372 -174.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' 2119 ' ' ILE . . . -60.78 -37.54 82.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.922 0.392 . . . . 0.29 110.054 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -76.2 -38.62 56.26 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.429 -0.508 . . . . 0.4 110.057 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.418 ' N ' HD12 ' A' 2100 ' ' LEU . 5.7 mm-40 -63.75 -43.78 95.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.9 0.381 . . . . 0.72 111.168 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.522 HD11 ' HB ' ' A' 2071 ' ' THR . 1.3 tt -56.65 -55.78 29.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.054 -0.521 . . . . 0.65 110.135 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -53.33 -43.96 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.877 -0.601 . . . . 2.43 110.943 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' 2101 ' ' GLU . 88.4 m-20 -51.14 -51.22 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.48 110.656 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.1 m -62.1 -44.62 96.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.51 110.6 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' 2102 ' ' LEU . 82.2 mt -60.46 -40.75 92.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 1.13 110.684 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.8 m -65.3 -45.77 83.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.355 -0.839 . . . . 0.81 110.969 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 39.7 m170 -72.97 -24.0 60.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.858 -0.61 . . . . 2.81 111.712 -174.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.43 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.2 t30 -69.13 -46.3 67.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 2.6 111.289 -177.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 1.4 p -88.29 -39.78 14.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.101 0.408 . . . . 1.03 112.101 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 113.0 -13.58 24.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.44 -0.886 . . . . 1.05 112.447 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' 2112 ' ' LEU . 1.2 pp -78.02 -170.07 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.614 0.245 . . . . 1.45 110.565 177.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -122.65 133.42 54.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.384 -0.371 . . . . 1.18 110.054 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 92.9 mt -112.31 140.93 24.21 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.876 0.369 . . . . 2.95 111.304 -176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.562 ' O ' ' HB2' ' A' 2118 ' ' LEU . 37.2 Cg_endo -67.88 147.96 75.66 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.176 2.584 . . . . 1.1 112.135 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.51 -8.82 11.66 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.204 2.603 . . . . 0.75 112.456 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . 0.518 ' HB ' ' OD2' ' A' 2121 ' ' ASP . 2.8 p -96.63 3.89 52.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.817 -0.629 . . . . 0.86 110.549 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -44.07 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.247 -0.888 . . . . 0.7 112.083 176.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' 2099 ' ' ALA . 41.7 mm -76.31 -19.36 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.681 0.753 . . . . 0.5 109.777 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . 0.428 ' HB3' ' HA ' ' A' 2117 ' ' THR . 26.9 t80 -63.11 -48.37 78.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.858 -1.065 . . . . 3.49 110.154 176.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . 0.518 ' OD2' ' HB ' ' A' 2117 ' ' THR . 6.0 m-20 -87.45 -42.68 12.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 2.0 112.531 -175.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -124.98 62.79 37.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 120.113 -0.635 . . . . 0.71 112.146 -170.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -81.82 104.76 1.46 Allowed 'Trans proline' 0 N--CA 1.442 -1.503 0 CA-C-N 120.512 1.218 . . . . 0.43 111.119 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.63 142.58 0.48 Allowed Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 124.487 1.115 . . . . 0.5 108.348 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' 2085 ' ' PRO . 40.1 Cg_exo -57.69 -54.65 3.1 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.737 1.625 . . . . 0.25 111.902 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.509 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.4 t60 -66.91 -38.31 85.99 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.159 -0.473 . . . . 0.8 111.581 -177.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.6 91.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.37 -0.377 . . . . 0.34 111.261 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.64 110.704 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' 2126 ' ' HIS . 97.3 m -55.37 -51.13 67.79 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.186 0.517 . . . . 0.33 110.392 176.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.27 -39.7 94.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.32 -0.855 . . . . 2.22 110.532 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' 2135 ' ' ARG . 86.3 t60 -60.32 -59.97 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.59 110.383 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.51 -31.48 71.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.48 111.292 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.84 -52.6 49.08 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.692 -0.484 . . . . 0.67 109.692 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' 2138 ' ' GLN . 30.1 m -56.67 -40.75 76.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.74 111.295 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.692 ' HG2' ' O ' ' A' 2131 ' ' HIS . 1.8 mmp_? -47.14 -57.77 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.404 0.52 . . . . 3.18 112.404 -177.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' 2047 ' ' SER . 97.3 mt -89.85 -32.25 16.98 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.64 0.607 . . . . 2.37 112.64 -174.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . 0.451 ' HA ' ' HB3' ' A' 2050 ' ' ARG . 69.8 p -76.99 -32.32 57.14 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.271 -0.571 . . . . 1.41 110.686 -173.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.442 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.0 OUTLIER -86.25 -13.59 46.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.489 -0.778 . . . . 2.57 110.044 177.214 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . 0.567 ' HB2' ' O ' ' A' 2135 ' ' ARG . 31.3 t -73.01 163.35 28.3 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.84 -0.618 . . . . 3.48 110.594 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.793 -0.622 . . . . 6.78 109.801 178.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.601 ' C43' ' HB2' ' A' 2090 ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.664 ' N ' ' HG ' ' A' 2139 ' ' SER . . . . . . . . 0 N--CA 1.483 1.811 0 N-CA-C 112.083 -0.407 . . . . 6.58 112.083 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' 2049 ' ' MET . 35.0 t -113.8 156.11 24.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 4.27 110.762 -176.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.65 ' HA ' ' O ' ' A' 2051 ' ' LEU . 1.2 p80 -70.98 23.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.338 -0.847 . . . . 6.67 111.608 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.487 ' H ' ' C ' ' A' 2047 ' ' SER . 13.3 mmt -50.03 -56.79 9.34 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 113.41 0.893 . . . . 3.75 113.41 -171.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' 2050 ' ' ARG . 41.5 mmt-85 -89.27 -69.44 0.71 Allowed 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 116.977 -1.889 . . . . 9.54 108.593 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.65 ' O ' ' HA ' ' A' 2048 ' ' HIS . 92.2 mt -138.74 -64.61 0.51 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 122.208 1.004 . . . . 6.31 109.439 144.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -104.3 151.66 23.16 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 113.736 -1.574 . . . . 4.71 112.074 172.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 39.85 62.92 1.34 Allowed Glycine 0 N--CA 1.466 0.656 0 N-CA-C 115.521 0.968 . . . . 3.43 115.521 158.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' 2054 ' ' LEU . 0.0 OUTLIER -52.42 147.03 8.64 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 121.462 0.648 . . . . 3.31 110.698 178.193 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.455 ' HB2' ' HG2' ' A' 2058 ' ' GLN . 11.8 m -92.53 139.39 23.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.177 -0.675 . . . . 2.08 109.177 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -38.18 -50.76 2.13 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.889 3.059 . . . . 1.78 115.116 -171.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.662 ' O ' ' HG3' ' A' 2061 ' ' GLN . 49.4 mt-30 -72.43 -25.26 61.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.076 0.399 . . . . 2.4 112.076 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.455 ' HG2' ' HB2' ' A' 2055 ' ' SER . 31.3 mm-40 -53.9 -56.02 21.54 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.245 0.545 . . . . 2.4 111.58 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.498 ' HG3' ' HG ' ' A' 2054 ' ' LEU . 5.5 mm100 -68.53 -36.14 78.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.801 -0.636 . . . . 2.83 111.441 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.72 -18.41 42.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.865 0.32 . . . . 1.38 111.865 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.662 ' HG3' ' O ' ' A' 2057 ' ' GLN . 33.3 mt-30 -81.57 -60.37 2.28 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.167 -0.679 . . . . 1.97 109.167 172.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 96.9 m -47.43 -57.67 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.189 -1.368 . . . . 0.83 111.518 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' 2067 ' ' VAL . 2.7 mp -59.82 -46.86 87.92 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.618 -0.719 . . . . 0.92 111.786 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -59.25 -32.69 70.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.851 0.358 . . . . 0.37 111.312 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 6.4 m -82.69 -37.49 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.349 -0.612 . . . . 0.42 109.349 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.67 -63.76 1.19 Allowed 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.062 -0.972 . . . . 0.37 111.042 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -50.89 -41.34 21.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.64 111.311 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.07 6.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.785 -0.643 . . . . 0.29 111.086 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.711 0.291 . . . . 0.29 111.329 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' 2074 ' ' VAL . . . -66.54 -52.78 42.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.34 110.44 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.453 ' OG1' HD11 ' A' 2094 ' ' ILE . 14.5 t -71.39 -28.3 63.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.912 0.863 . . . . 0.38 109.924 -175.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -68.25 -16.97 64.17 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.545 -1.207 . . . . 0.54 110.67 174.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 40.9 m -90.77 -35.24 14.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.408 -0.36 . . . . 0.6 111.185 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -75.42 -37.06 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.51 0.671 . . . . 0.78 110.194 -177.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.491 HD21 HD13 ' A' 2094 ' ' ILE . 62.8 mt -86.86 175.57 8.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.205 -0.907 . . . . 1.24 111.48 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -89.72 16.96 55.33 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.755 -0.657 . . . . 1.3 112.8 -177.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 32.2 p80 -131.89 130.51 41.72 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.489 -0.93 . . . . 2.09 108.489 176.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.806 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 47.7 t-80 -127.64 60.35 1.43 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.043 0.925 . . . . 5.96 111.905 -177.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 3.2 m -123.67 101.48 36.6 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 108.117 -1.068 . . . . 1.52 108.117 165.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.8 -15.06 36.75 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 122.507 2.138 . . . . 0.7 110.643 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.2 -33.88 77.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.151 -1.386 . . . . 2.96 110.658 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 30.3 t -85.36 -5.2 59.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.044 -0.98 . . . . 1.7 110.707 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.434 HD13 ' CG2' ' A' 2071 ' ' THR . 29.2 mt -86.67 94.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.185 0.517 . . . . 0.76 110.06 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.432 ' HB2' ' OG1' ' A' 2087 ' ' THR . 17.3 m -79.09 135.83 58.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.557 -0.747 . . . . 0.42 110.853 -176.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.46 -29.7 44.71 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.629 2.886 . . . . 0.36 113.522 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -78.46 -19.08 53.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.424 -0.353 . . . . 0.47 111.454 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.9 m -80.5 156.39 26.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.296 0.57 . . . . 0.39 110.603 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.48 ' O ' HD22 ' A' 2092 ' ' LEU . . . -95.02 146.33 24.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.613 -0.721 . . . . 0.32 110.481 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.527 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 19.6 m-85 -55.71 -28.55 56.28 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.48 111.051 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -47.01 -62.77 1.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.955 0.883 . . . . 2.91 110.566 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.12 -28.14 67.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.025 -1.443 . . . . 1.88 111.909 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' 2088 ' ' ALA . 0.1 OUTLIER -73.36 -21.48 60.52 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.967 -0.293 . . . . 0.73 111.706 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.57 2.78 8.04 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.096 -1.049 . . . . 0.27 113.523 174.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 23.9 mm -73.83 128.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.068 0.461 . . . . 0.28 112.215 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -112.31 -164.2 0.9 Allowed 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.51 -0.922 . . . . 1.07 108.51 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -33.83 66.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.007 -0.677 . . . . 0.85 110.579 178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' 2100 ' ' LEU . 14.1 mt -62.29 -48.17 81.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.37 -0.832 . . . . 1.65 110.336 -177.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 2.0 p -86.81 -11.64 50.32 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.059 -0.973 . . . . 0.27 112.229 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' 2119 ' ' ILE . . . -64.11 -41.45 97.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.071 0.462 . . . . 0.29 109.83 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' 2101 ' ' GLU . 3.7 pp -73.27 -39.06 65.7 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.193 -0.458 . . . . 0.4 110.24 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.479 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -60.37 -42.75 96.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.967 0.413 . . . . 0.72 111.345 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' 2106 ' ' LEU . 8.8 tp -62.57 -50.67 70.38 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 116.011 -0.541 . . . . 0.65 110.67 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.426 ' HD2' ' O ' ' A' 2115 ' ' PRO . 37.8 ttp180 -57.99 -40.62 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.058 -0.519 . . . . 2.43 110.739 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.459 HD22 ' HA ' ' A' 2101 ' ' GLU . 80.5 m-20 -50.52 -49.42 55.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.072 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' 2109 ' ' ASN . 18.0 m -68.25 -45.21 73.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.51 110.371 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.6 mt -57.37 -43.83 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 1.13 111.217 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' A' 2114 ' ' LEU . 27.5 m -64.58 -46.78 81.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.81 111.004 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 83.4 t60 -72.74 -33.12 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 2.81 111.373 -176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' 2105 ' ' THR . 2.7 t-20 -72.11 -35.67 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.257 -0.429 . . . . 2.6 111.068 -175.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 22.6 p -88.78 -39.82 13.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.479 -0.328 . . . . 1.03 111.385 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 111.01 -26.95 11.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.63 -0.795 . . . . 1.05 112.261 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' 2135 ' ' ARG . 95.4 mt -77.25 -175.15 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.316 0.579 . . . . 1.45 111.311 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -112.27 124.62 52.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.329 -0.851 . . . . 1.18 110.885 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.483 HD11 HD11 ' A' 2132 ' ' LEU . 2.6 mp -106.23 138.56 19.73 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.836 -0.62 . . . . 2.95 110.907 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.524 ' O ' ' HB2' ' A' 2118 ' ' LEU . 19.3 Cg_endo -65.56 145.77 82.96 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.043 2.495 . . . . 1.1 111.552 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.23 -13.77 25.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.038 2.492 . . . . 0.75 112.672 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 22.7 p -100.51 5.73 44.15 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.458 -0.337 . . . . 0.86 111.399 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.7 tm? -36.19 -67.09 0.18 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.7 113.114 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' 2099 ' ' ALA . 30.3 mm -74.73 -17.94 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.5 110.493 -177.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -74.86 -41.64 59.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.635 -0.711 . . . . 3.49 110.336 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.66 -46.54 15.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 2.0 111.604 -178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.17 65.84 58.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 C-N-CA 120.798 -0.361 . . . . 0.71 111.494 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -80.59 104.96 1.65 Allowed 'Trans proline' 0 N--CA 1.445 -1.371 0 CA-C-N 120.398 1.178 . . . . 0.43 110.958 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.02 146.27 0.66 Allowed Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 114.779 -1.101 . . . . 0.5 108.816 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.29 -57.06 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 121.838 1.692 . . . . 0.25 112.545 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.596 ' O ' ' HB ' ' A' 2129 ' ' THR . 83.1 t60 -71.34 -36.07 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.471 -0.332 . . . . 0.8 111.514 -175.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.11 94.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.595 -0.275 . . . . 0.34 111.343 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.27 -39.06 78.22 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.6 0.238 . . . . 0.64 110.612 173.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -53.58 -47.22 70.31 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.824 -0.625 . . . . 0.33 110.596 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.712 -0.676 . . . . 2.22 111.486 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.464 ' O ' ' HG2' ' A' 2135 ' ' ARG . 45.7 t60 -59.47 -56.85 16.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.924 0.393 . . . . 0.59 110.407 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.483 HD11 HD11 ' A' 2114 ' ' LEU . 3.7 mm? -64.24 -30.61 71.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.48 110.978 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.28 -42.99 99.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.67 110.151 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 23.9 m -70.17 -35.09 73.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.301 -0.409 . . . . 0.74 110.486 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' 2131 ' ' HIS . 5.2 mmp_? -59.02 -58.0 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.184 -0.462 . . . . 3.18 111.895 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' 2049 ' ' MET . 4.1 mm? -66.11 -31.27 72.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.436 0.532 . . . . 2.37 112.436 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . 0.545 HG22 HD11 ' A' 2054 ' ' LEU . 39.9 p -75.94 -31.55 59.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.219 0.533 . . . . 1.41 110.061 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -75.3 -28.3 59.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.367 -0.833 . . . . 2.57 110.608 172.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . 0.664 ' HG ' ' N ' ' A' 2046 ' ' GLY . 21.6 p 53.46 -160.88 0.13 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.851 -1.068 . . . . 3.48 111.686 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 32.8 m170 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.341 -0.838 . . . . 6.78 111.121 -178.711 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 112.076 -0.41 . . . . 6.58 112.076 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.424 ' N ' ' HA2' ' A' 2053 ' ' GLY . 36.0 p -158.67 145.61 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.381 0.61 . . . . 4.27 110.752 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -83.35 21.06 1.2 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.172 -0.922 . . . . 6.67 110.97 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.684 ' HE3' HD21 ' A' 2136 ' ' LEU . 17.4 mmt -68.75 -71.61 0.21 Allowed 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 114.254 1.205 . . . . 3.75 114.254 -166.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -95.93 -65.47 0.97 Allowed 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 117.602 -1.639 . . . . 9.54 109.075 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.638 HD22 ' N ' ' A' 2052 ' ' ASN . 0.0 OUTLIER -136.92 -57.05 0.73 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.91 0.386 . . . . 6.31 110.405 147.231 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.638 ' N ' HD22 ' A' 2051 ' ' LEU . 9.6 p30 -100.57 119.0 37.88 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.912 0.708 . . . . 4.71 112.912 178.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . 0.424 ' HA2' ' N ' ' A' 2047 ' ' SER . . . 36.22 62.34 0.75 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 116.921 1.528 . . . . 3.43 116.921 149.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 53.7 mt -57.88 145.25 36.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 118.71 1.255 . . . . 3.31 110.589 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 28.4 p -75.85 155.8 84.75 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 109.513 -0.551 . . . . 2.08 109.513 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -41.04 -50.66 4.11 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.329 2.686 . . . . 1.78 113.684 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' 2061 ' ' GLN . 14.0 tt0 -64.82 -48.1 75.62 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 112.077 0.399 . . . . 2.4 112.077 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -60.91 -36.99 80.71 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.639 0.257 . . . . 2.4 110.653 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.632 ' O ' HD13 ' A' 2063 ' ' LEU . 77.1 mt-30 -55.69 -58.9 5.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.762 -0.653 . . . . 2.83 110.549 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -47.67 -38.21 14.51 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.485 0.55 . . . . 1.38 112.485 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' 2057 ' ' GLN . 65.5 mm-40 -64.65 -57.33 9.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.25 0.547 . . . . 1.97 110.43 178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 33.9 m -55.31 -53.85 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.242 -0.89 . . . . 0.83 111.256 177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -57.76 -41.6 82.3 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.239 0.615 . . . . 0.92 112.052 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.65 71.73 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.161 0.505 . . . . 0.37 110.909 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 14.0 m -87.61 -33.97 18.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.42 109.741 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.75 -63.75 1.14 Allowed 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.421 -0.809 . . . . 0.37 110.793 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 2063 ' ' LEU . 5.9 p -54.76 -39.59 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.072 -0.513 . . . . 0.64 111.215 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.511 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -60.55 -52.08 66.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.29 110.943 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.18 -27.45 64.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.343 -0.389 . . . . 0.29 110.986 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' 2074 ' ' VAL . . . -65.65 -55.36 17.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.34 110.6 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.49 ' CG2' HD12 ' A' 2083 ' ' ILE . 7.3 t -65.74 -27.42 68.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.444 0.64 . . . . 0.38 110.242 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.969 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -75.57 -19.64 59.15 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.028 -0.987 . . . . 0.54 110.733 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 63.7 m -83.08 -40.08 20.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.205 -0.452 . . . . 0.6 110.706 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.41 -40.33 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.78 110.01 -177.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 59.0 mt -85.78 165.84 16.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.678 -0.692 . . . . 1.24 111.024 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -85.84 42.92 3.19 Favored Glycine 0 N--CA 1.453 -0.226 0 CA-C-N 116.025 -0.534 . . . . 1.3 112.902 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 27.6 p80 -158.78 120.3 3.43 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.873 -1.158 . . . . 2.09 107.873 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.969 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 47.3 t-80 -126.23 68.92 1.21 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.088 0.947 . . . . 5.96 111.993 -174.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' 2081 ' ' GLU . 10.6 m -122.15 95.51 47.25 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 114.529 -1.214 . . . . 1.52 108.209 166.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.446 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 36.8 Cg_exo -62.29 -19.17 66.11 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.175 2.584 . . . . 0.7 111.988 -173.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . 0.437 ' HB3' HG22 ' A' 2079 ' ' THR . 31.7 tt0 -63.33 -27.97 69.68 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 115.272 -0.876 . . . . 2.96 111.084 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 29.1 t -94.64 -0.53 54.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.838 -0.619 . . . . 1.7 111.137 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.627 HD11 ' HB2' ' A' 2072 ' ' ALA . 6.2 mm -78.91 100.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 110.082 -0.34 . . . . 0.76 110.082 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 20.0 m -78.78 123.89 85.19 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.179 0.514 . . . . 0.42 110.837 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -63.86 -33.57 63.83 Favored 'Trans proline' 0 N--CA 1.472 0.209 0 C-N-CA 123.629 2.886 . . . . 0.36 113.533 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -74.54 -22.0 59.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.389 -0.369 . . . . 0.47 111.824 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.2 m -78.22 152.49 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.238 0.542 . . . . 0.39 110.707 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -91.31 141.69 28.5 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.543 -0.753 . . . . 0.32 109.528 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.431 ' O ' ' HB ' ' A' 2094 ' ' ILE . 13.1 m-85 -55.24 -28.57 54.21 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.136 0.272 . . . . 0.48 111.504 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -57.87 -33.87 69.16 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.37 0.605 . . . . 2.91 110.844 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -90.23 -29.13 18.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.219 -0.9 . . . . 1.88 111.192 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.7 OUTLIER -65.33 -22.26 66.8 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.079 -0.248 . . . . 0.73 111.502 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.92 -1.48 8.47 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.293 -0.956 . . . . 0.27 111.793 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' 2089 ' ' PHE . 33.2 mm -70.88 126.7 31.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.966 0.412 . . . . 0.28 111.577 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -107.78 -170.25 1.66 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.78 -1.193 . . . . 1.07 107.78 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -21.83 60.09 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.447 -1.301 . . . . 0.85 109.451 175.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' 2100 ' ' LEU . 28.2 mt -64.52 -55.36 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.866 -1.061 . . . . 1.65 110.111 178.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.61 -12.32 58.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.356 -0.838 . . . . 0.27 112.05 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' 2103 ' ' ARG . . . -61.84 -42.86 99.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 0.29 110.541 175.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' 2101 ' ' GLU . 3.6 pp -71.69 -38.48 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 0.4 110.33 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.559 ' N ' HD12 ' A' 2100 ' ' LEU . 6.2 mm-40 -59.14 -39.47 82.48 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.111 0.482 . . . . 0.72 110.688 176.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' 2106 ' ' LEU . 0.6 OUTLIER -62.26 -49.86 74.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.095 -0.502 . . . . 0.65 110.404 176.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' 2099 ' ' ALA . 15.7 mtm180 -55.75 -43.4 76.61 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.226 0.536 . . . . 2.43 109.621 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.434 HD22 ' HA ' ' A' 2101 ' ' GLU . 96.0 m-20 -54.59 -42.33 70.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.966 -1.015 . . . . 0.48 111.355 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.6 m -75.56 -43.32 49.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.316 -0.402 . . . . 0.51 111.12 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' 2102 ' ' LEU . 81.0 mt -59.52 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.452 . . . . 1.13 110.837 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.626 HG23 ' O ' ' A' 2112 ' ' LEU . 12.4 m -66.18 -39.62 89.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.68 -0.691 . . . . 0.81 110.69 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 53.8 t60 -60.92 -29.19 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.832 -0.622 . . . . 2.81 111.095 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -85.11 -41.9 15.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.113 0.482 . . . . 2.6 111.097 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 67.6 p -89.51 -31.23 17.74 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.838 0.681 . . . . 1.03 112.838 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 81.09 0.66 89.19 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.324 -0.71 . . . . 1.05 111.324 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' 2107 ' ' THR . 23.1 mt -87.74 120.46 29.08 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.815 0.446 . . . . 1.45 110.959 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -54.01 142.23 25.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.638 -0.71 . . . . 1.18 110.538 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.495 HD22 ' C ' ' A' 2114 ' ' LEU . 0.0 OUTLIER -131.15 156.69 79.78 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 112.209 0.448 . . . . 2.95 112.209 -172.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' 2118 ' ' LEU . 40.6 Cg_endo -94.36 149.73 1.96 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.374 3.383 . . . . 1.1 112.433 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.06 -7.89 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.721 2.28 . . . . 0.75 112.167 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' 2120 ' ' PHE . 3.7 p -100.9 4.42 42.65 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.433 -0.803 . . . . 0.86 110.583 -178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.4 tm? -42.8 -66.53 0.36 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.522 -0.763 . . . . 0.7 112.144 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 33.1 mm -76.28 -21.27 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.45 0.643 . . . . 0.5 110.189 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' 2117 ' ' THR . 9.3 t80 -60.52 -50.0 75.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.294 -0.866 . . . . 3.49 110.2 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.33 -45.0 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 2.0 112.077 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -125.93 68.43 63.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 C-N-CA 120.527 -0.469 . . . . 0.71 111.901 -171.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.61 103.87 1.41 Allowed 'Trans proline' 0 N--CA 1.442 -1.55 0 CA-C-N 120.604 1.251 . . . . 0.43 110.201 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.17 142.63 0.45 Allowed Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.991 -1.004 . . . . 0.5 108.949 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.425 ' O ' HG11 ' A' 2067 ' ' VAL . 34.9 Cg_exo -61.38 -56.43 0.86 Allowed 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 121.683 1.588 . . . . 0.25 111.664 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . . . . . . . . . 78.0 t60 -61.39 -41.92 97.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.8 112.218 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -69.29 -35.4 75.99 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.825 0.306 . . . . 0.34 111.825 -173.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' 2128 ' ' LEU . 26.6 mt -63.74 -33.79 76.45 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 120.766 -0.374 . . . . 0.64 110.85 176.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.408 HG23 ' CB ' ' A' 2063 ' ' LEU . 66.0 m -54.62 -44.26 72.98 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.201 0.524 . . . . 0.33 109.757 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -66.82 -45.01 79.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.961 -1.018 . . . . 2.22 110.382 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.7 t60 -61.26 -51.22 69.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.59 110.858 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 2112 ' ' LEU . 4.1 mm? -68.19 -28.28 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.829 -0.348 . . . . 0.48 110.617 -178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -67.9 -31.35 71.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.116 0.484 . . . . 0.67 110.628 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.456 ' O ' ' HG3' ' A' 2138 ' ' GLN . 23.8 m -69.57 -24.29 63.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.74 110.446 178.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.54 ' HB3' HD22 ' A' 2112 ' ' LEU . 10.8 mmm180 -65.93 -31.64 72.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.692 -174.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.684 HD21 ' HE3' ' A' 2049 ' ' MET . 0.8 OUTLIER -89.95 -44.04 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.617 0.722 . . . . 2.37 109.345 -178.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 20.0 p -71.22 -11.96 61.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.586 -1.188 . . . . 1.41 111.633 -171.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' 2134 ' ' THR . 7.7 mt-30 -72.06 -11.86 60.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.021 -0.536 . . . . 2.57 111.301 174.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 14.9 m 68.7 -174.3 0.19 Allowed 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.657 0.598 . . . . 3.48 110.8 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 69.1 m-70 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.493 -0.765 . . . . 6.78 110.155 177.271 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 N-CA-C 111.872 -0.491 . . . . 6.58 111.872 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.52 ' O ' HD12 ' A' 2136 ' ' LEU . 22.0 m -101.49 11.51 38.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 121.174 -0.21 . . . . 4.27 111.206 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 13.6 m170 -79.52 23.69 0.39 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.848 0.356 . . . . 6.67 110.622 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.455 ' H ' ' C ' ' A' 2047 ' ' SER . 10.0 ptt? -34.33 -51.7 0.46 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.11 1.364 . . . . 3.75 114.482 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' 2050 ' ' ARG . 13.7 mmt180 -107.87 -10.85 15.47 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.488 -0.323 . . . . 9.54 111.524 -174.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.451 HD23 HD11 ' A' 2136 ' ' LEU . 2.9 mm? -120.71 23.87 10.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.989 0.423 . . . . 6.31 111.056 -174.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.6 p30 -59.44 128.97 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 4.71 110.68 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.79 -26.78 12.05 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.969 -0.634 . . . . 3.43 112.589 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.7 142.81 32.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.347 0.594 . . . . 3.31 112.028 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' 2059 ' ' GLN . 7.3 p -81.99 158.09 67.9 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.067 -0.97 . . . . 2.08 109.064 170.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.425 ' HA ' ' HE2' ' A' 2133 ' ' HIS . 56.1 Cg_exo -38.58 -54.18 1.62 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.79 2.993 . . . . 1.78 114.454 -176.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.98 -41.77 99.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.887 0.328 . . . . 2.4 111.887 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' A' 2061 ' ' GLN . 12.6 mm100 -69.86 -28.74 65.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.228 0.537 . . . . 2.4 110.521 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.638 ' O ' HD13 ' A' 2063 ' ' LEU . 48.5 mt-30 -64.76 -49.13 71.96 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.434 -0.58 . . . . 2.83 109.434 173.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.07 -48.42 70.63 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.503 0.557 . . . . 1.38 112.503 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' 2058 ' ' GLN . 12.3 pt20 -61.7 -36.78 81.9 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.007 -0.677 . . . . 1.97 110.547 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 97.2 m -59.29 -60.35 4.0 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.901 -0.591 . . . . 0.83 110.732 172.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' 2059 ' ' GLN . 7.4 mp -57.69 -34.6 69.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.92 112.243 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.37 65.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.37 110.797 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 25.9 m -85.28 -35.67 21.36 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.014 -0.736 . . . . 0.42 109.014 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.423 HD22 ' ND2' ' A' 2109 ' ' ASN . 16.8 tp -56.95 -61.74 2.23 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.065 -0.971 . . . . 0.37 110.671 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' 2063 ' ' LEU . 7.3 p -56.24 -39.51 60.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.146 -0.479 . . . . 0.64 111.561 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -59.27 -55.34 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 0.29 110.447 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.58 68.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.872 0.368 . . . . 0.29 110.609 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.69 -51.75 63.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.032 -0.531 . . . . 0.34 110.591 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.523 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.1 t -74.73 -22.36 58.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.405 0.621 . . . . 0.38 110.167 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -72.61 -20.03 61.36 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.261 -0.881 . . . . 0.54 110.396 173.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 58.1 m -84.43 -31.11 24.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.15 0.5 . . . . 0.6 110.542 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -78.26 -45.01 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.05 0.452 . . . . 0.78 109.83 -179.066 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.6 mt -91.8 133.01 36.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.818 -0.628 . . . . 1.24 110.576 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -63.92 -19.9 63.85 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 115.345 0.898 . . . . 1.3 115.345 -170.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 22.1 p80 -58.47 -35.64 72.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 117.941 0.871 . . . . 2.09 110.466 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.578 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 25.1 t-80 37.89 79.62 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.953 1.094 . . . . 5.96 113.953 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 34.8 m -152.5 99.93 2.8 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.441 -0.8 . . . . 1.52 109.0 169.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.478 ' HA ' HD12 ' A' 2083 ' ' ILE . 18.8 Cg_exo -67.01 -19.21 51.97 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.511 2.141 . . . . 0.7 111.436 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -48.39 -50.25 31.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.981 -1.008 . . . . 2.96 112.472 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 47.4 t -99.33 13.65 32.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 1.7 111.627 -171.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.523 HD13 ' CG2' ' A' 2071 ' ' THR . 25.5 mt -86.28 93.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 0.76 110.07 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 41.1 m -72.26 133.91 83.05 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.653 -0.703 . . . . 0.42 111.054 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 52.8 Cg_endo -66.91 -32.05 36.75 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 123.609 2.872 . . . . 0.36 113.782 -172.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.34 -3.13 58.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.1 0.408 . . . . 0.47 112.1 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.8 m -84.91 151.63 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.156 0.503 . . . . 0.39 110.216 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -88.32 139.49 30.44 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.414 -0.812 . . . . 0.32 109.75 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.436 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 17.0 m-85 -58.15 -23.67 56.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.612 -0.267 . . . . 0.48 111.094 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -47.01 -61.21 1.98 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.87 0.843 . . . . 2.91 110.154 167.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.34 -29.86 69.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.127 -1.397 . . . . 1.88 111.588 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -22.78 62.89 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.808 -0.357 . . . . 0.73 111.903 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 118.13 11.76 8.05 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.108 -1.044 . . . . 0.27 113.007 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.483 HD11 ' OG1' ' A' 2071 ' ' THR . 26.9 mm -80.44 128.89 38.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.105 0.479 . . . . 0.28 111.976 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -110.99 -165.87 1.03 Allowed 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 108.528 -0.916 . . . . 1.07 108.528 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.11 -39.95 75.19 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.46 0.647 . . . . 0.85 110.119 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' 2100 ' ' LEU . 37.6 tp -55.97 -53.82 52.26 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.523 -1.217 . . . . 1.65 111.357 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.3 p -81.79 -13.58 57.52 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.958 -0.565 . . . . 0.27 112.159 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.18 -45.72 90.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 0.29 109.897 174.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.8 pp -71.26 -36.23 71.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.4 110.621 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' 2100 ' ' LEU . 9.1 mm-40 -60.41 -42.68 96.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.013 0.435 . . . . 0.72 111.367 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.0 OUTLIER -60.14 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.608 -0.516 . . . . 0.65 109.608 176.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -54.61 -40.63 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.538 -0.755 . . . . 2.43 111.08 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' 2101 ' ' GLU . 86.0 m-20 -53.54 -50.07 66.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.48 110.859 176.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.5 m -66.44 -42.04 88.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.51 110.934 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.507 HD11 HD13 ' A' 2128 ' ' LEU . 93.1 mt -63.14 -45.92 89.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.049 -0.523 . . . . 1.13 110.836 178.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.428 HG23 ' O ' ' A' 2112 ' ' LEU . 99.7 m -61.38 -48.67 80.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.267 -0.879 . . . . 0.81 110.808 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -68.24 -27.6 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.81 111.129 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.423 ' ND2' HD22 ' A' 2066 ' ' LEU . 6.2 t30 -72.65 -40.83 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 2.6 110.923 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.6 p -85.38 -41.38 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.308 -0.406 . . . . 1.03 111.666 -175.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.46 -20.12 37.99 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.669 -0.777 . . . . 1.05 112.823 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' 2107 ' ' THR . 2.3 pp -86.27 -175.87 5.68 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.754 0.311 . . . . 1.45 110.499 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -106.06 138.69 41.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.182 -0.463 . . . . 1.18 110.845 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.503 HD11 HD11 ' A' 2132 ' ' LEU . 91.9 mt -121.38 139.61 29.96 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.615 -0.72 . . . . 2.95 110.105 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.506 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.7 Cg_endo -63.24 147.17 94.11 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.875 2.383 . . . . 1.1 111.75 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -62.15 -8.77 12.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.057 2.505 . . . . 0.75 112.358 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 5.6 p -100.95 3.38 41.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.615 -0.721 . . . . 0.86 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.6 tm? -36.71 -65.65 0.27 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.047 0.939 . . . . 0.7 112.709 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' 2099 ' ' ALA . 33.4 mm -76.56 -21.4 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.255 0.55 . . . . 0.5 110.741 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -69.66 -35.59 75.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.595 . . . . 3.49 110.195 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.45 -43.48 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 2.0 112.128 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -125.45 64.73 48.77 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-O 119.228 -0.415 . . . . 0.71 111.676 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -81.88 104.63 1.44 Allowed 'Trans proline' 0 N--CA 1.444 -1.417 0 CA-C-N 120.623 1.258 . . . . 0.43 110.953 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.7 138.39 0.4 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 114.797 -1.092 . . . . 0.5 108.501 171.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.51 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 35.7 Cg_exo -56.36 -57.24 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 121.835 1.69 . . . . 0.25 112.104 -175.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.619 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.0 t60 -67.55 -34.07 76.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.8 111.54 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.11 85.46 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.758 0.313 . . . . 0.34 110.957 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.507 HD13 HD11 ' A' 2106 ' ' LEU . 47.5 mt -60.06 -37.2 79.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.64 110.3 172.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.619 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -54.4 -44.25 72.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.33 110.409 174.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' 2126 ' ' HIS . 19.8 mt-30 -67.06 -47.41 71.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 2.22 109.815 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -58.61 -54.85 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.936 -0.575 . . . . 0.59 110.907 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.503 HD11 HD11 ' A' 2114 ' ' LEU . 3.7 mm? -65.4 -28.63 69.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.037 -0.529 . . . . 0.48 111.252 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . 0.425 ' HE2' ' HA ' ' A' 2056 ' ' PRO . 26.6 t-80 -71.84 -31.09 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.576 -0.45 . . . . 0.67 109.987 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 65.8 m -70.31 -41.03 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.74 109.95 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.423 ' HD2' ' OE1' ' A' 2138 ' ' GLN . 10.7 mmm180 -57.72 -46.18 84.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.97 0.891 . . . . 3.18 109.231 172.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' 2047 ' ' SER . 12.7 tp -66.45 -21.17 66.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.958 -1.474 . . . . 2.37 112.798 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 18.0 p -110.48 -4.03 15.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.949 0.404 . . . . 1.41 111.567 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.423 ' OE1' ' HD2' ' A' 2135 ' ' ARG . 5.8 mt-30 -54.34 -46.78 72.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.407 -0.815 . . . . 2.57 111.951 -176.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 19.8 m -101.22 127.15 47.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.971 -0.381 . . . . 3.48 109.971 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 5.8 p80 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.478 -0.772 . . . . 6.78 110.557 179.337 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.472 ' C28' ' HB2' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.559 0 N-CA-C 111.816 -0.514 . . . . 6.58 111.816 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' 2136 ' ' LEU . 89.0 p -156.85 171.07 21.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.978 -0.378 . . . . 4.27 109.978 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 15.9 p80 -96.39 20.67 10.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.558 -0.534 . . . . 6.67 109.558 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.472 ' HB3' HG22 ' A' 2137 ' ' THR . 22.1 mmt -100.93 -0.39 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.373 0.879 . . . . 3.75 113.373 -167.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -55.11 4.13 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.223 -1.391 . . . . 9.54 112.123 -166.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 94.1 mt -124.77 -50.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.931 0.715 . . . . 6.31 112.931 -172.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -79.03 124.72 28.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.004 0.742 . . . . 4.71 113.004 -165.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 82.98 -35.17 2.75 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 114.878 -1.055 . . . . 3.43 114.518 168.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.699 HD22 ' HG3' ' A' 2059 ' ' GLN . 0.1 OUTLIER -103.58 121.65 43.34 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 117.772 0.786 . . . . 3.31 111.891 177.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.551 ' O ' HD12 ' A' 2054 ' ' LEU . 16.3 t -94.6 144.22 27.55 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 106.923 -1.51 . . . . 2.08 106.923 167.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' 2060 ' ' GLN . 65.9 Cg_exo -37.0 -45.82 1.33 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.945 3.097 . . . . 1.78 115.319 -168.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -67.14 -29.36 69.06 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.01 0.374 . . . . 2.4 112.01 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -59.58 -51.76 68.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.001 0.371 . . . . 2.4 112.001 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.699 ' HG3' HD22 ' A' 2054 ' ' LEU . 6.5 mm100 -73.11 -34.39 66.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.084 -0.646 . . . . 2.83 111.452 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' 2056 ' ' PRO . 72.7 mt-30 -57.47 -43.92 84.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.663 -0.415 . . . . 1.38 111.994 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.38 -39.29 88.98 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.276 -0.57 . . . . 1.97 110.441 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.1 m -57.89 -59.8 4.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.096 -0.502 . . . . 0.83 110.881 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' 2059 ' ' GLN . 6.6 mp -59.34 -37.73 78.57 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.232 0.613 . . . . 0.92 112.376 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.14 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.123 0.487 . . . . 0.37 110.735 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.2 m -86.39 -35.43 19.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 0.42 109.357 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' 2063 ' ' LEU . 11.9 tp -58.88 -62.93 1.5 Allowed 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.303 -0.862 . . . . 0.37 111.034 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' 2063 ' ' LEU . 7.6 p -53.43 -41.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 123.289 0.368 . . . . 0.64 111.525 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' 2071 ' ' THR . . . -61.44 -55.07 35.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.406 . . . . 0.29 110.997 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -61.34 -36.48 80.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.894 0.378 . . . . 0.29 110.477 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.681 ' O ' HG13 ' A' 2074 ' ' VAL . . . -58.17 -56.91 15.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.511 -0.768 . . . . 0.34 110.157 178.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.546 ' HB ' HD11 ' A' 2102 ' ' LEU . 8.7 t -65.08 -34.82 79.33 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.188 0.518 . . . . 0.38 110.821 -174.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.738 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -73.32 -20.12 60.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.038 -0.528 . . . . 0.54 111.053 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 85.5 m -86.48 -40.45 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.246 0.341 . . . . 0.6 111.619 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -64.06 -34.88 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.59 0.71 . . . . 0.78 109.23 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.52 ' HB2' ' CE1' ' A' 2077 ' ' HIS . 51.6 mt -90.72 -29.37 17.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.974 -1.012 . . . . 1.24 111.326 174.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 54.9 78.11 0.13 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 121.47 -0.395 . . . . 1.3 112.164 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . 0.532 ' CE1' ' HD2' ' A' 2078 ' ' HIS . 0.0 OUTLIER -172.9 5.32 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 114.032 1.123 . . . . 2.09 114.032 -169.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.532 ' HD2' ' CE1' ' A' 2077 ' ' HIS . 37.2 m-70 -155.39 157.28 36.81 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.053 0.76 . . . . 5.96 113.053 -174.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 45.2 m -80.13 119.98 78.23 Favored Pre-proline 0 N--CA 1.447 -0.595 0 CA-C-N 114.605 -1.179 . . . . 1.52 108.548 164.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.425 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 37.2 Cg_exo -59.08 -23.43 68.85 Favored 'Trans proline' 0 N--CA 1.471 0.174 0 C-N-CA 122.815 2.343 . . . . 0.7 112.851 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.32 -28.6 68.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.245 0.545 . . . . 2.96 110.364 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 46.9 t -81.18 -16.47 52.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.376 -0.829 . . . . 1.7 110.991 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' 2072 ' ' ALA . 22.0 mt -68.91 118.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.391 -0.822 . . . . 0.76 111.181 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.433 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.5 m -81.78 131.25 58.0 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.716 -0.675 . . . . 0.42 110.875 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.528 ' O ' ' HD2' ' A' 2125 ' ' PRO . 50.6 Cg_endo -64.77 -27.3 59.89 Favored 'Trans proline' 0 N--CA 1.472 0.226 0 C-N-CA 123.74 2.96 . . . . 0.36 113.647 -175.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -90.68 7.39 39.68 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.917 0.71 . . . . 0.47 112.917 -177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.7 m -95.02 150.2 20.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.504 0.668 . . . . 0.39 111.573 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -85.17 135.25 34.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.125 -0.943 . . . . 0.32 109.683 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.519 ' HA ' HD23 ' A' 2092 ' ' LEU . 24.7 m-85 -53.07 -29.99 33.49 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.218 0.821 . . . . 0.48 113.218 -177.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . 0.658 ' HD2' ' H ' ' A' 2090 ' ' LYS . 0.0 OUTLIER -56.44 -44.26 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.367 0.603 . . . . 2.91 109.682 175.012 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.23 -36.35 83.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.834 -1.076 . . . . 1.88 111.04 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.0 OUTLIER -72.03 -20.5 61.68 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.623 -0.262 . . . . 0.73 111.427 -179.055 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.89 2.31 9.43 Favored Glycine 0 N--CA 1.454 -0.167 0 C-N-CA 120.48 -0.866 . . . . 0.27 112.482 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.488 HG13 ' HB3' ' A' 2089 ' ' PHE . 30.9 mm -68.23 131.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.898 0.38 . . . . 0.28 111.706 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -113.36 -161.62 0.77 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.897 -0.592 . . . . 1.07 109.569 174.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 15.6 p -64.03 -51.26 65.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.627 0.727 . . . . 0.85 111.187 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.808 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.6 mt -67.67 -53.97 23.4 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.575 -1.193 . . . . 1.65 111.003 -175.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.1 p -65.93 -16.25 63.7 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.613 -0.721 . . . . 0.27 112.329 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.471 ' HB1' ' HB ' ' A' 2119 ' ' ILE . . . -65.17 -47.96 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.78 -0.452 . . . . 0.29 109.78 171.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.3 pp -68.29 -38.01 81.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.381 -0.528 . . . . 0.4 109.674 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.539 ' N ' HD12 ' A' 2100 ' ' LEU . 6.1 mm-40 -59.05 -45.25 91.24 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.873 0.368 . . . . 0.72 111.55 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.546 HD11 ' HB ' ' A' 2071 ' ' THR . 1.4 tt -57.53 -55.44 34.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.34 -0.391 . . . . 0.65 110.59 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 40.8 ptt85 -63.34 -33.17 74.95 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.728 -0.389 . . . . 2.43 110.045 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.425 HD22 ' HA ' ' A' 2101 ' ' GLU . 79.4 m-20 -52.98 -48.06 67.72 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.347 0.594 . . . . 0.48 109.986 174.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' 2109 ' ' ASN . 17.8 m -63.92 -54.02 41.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.996 -1.002 . . . . 0.51 111.307 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' 2103 ' ' ARG . 2.2 pp -70.79 -24.23 62.54 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.874 -0.331 . . . . 1.13 111.872 -175.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 58.9 m -69.78 -53.44 18.31 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.293 0.568 . . . . 0.81 110.404 173.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.71 -24.79 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 2.81 110.942 -176.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 2105 ' ' THR . 1.3 t-20 -67.84 -35.33 78.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.853 -0.612 . . . . 2.6 111.096 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 2.7 p -98.1 -33.67 11.06 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.07 0.396 . . . . 1.03 112.07 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.71 14.58 21.07 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.757 -0.735 . . . . 1.05 111.896 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.486 ' CD2' HD13 ' A' 2136 ' ' LEU . 86.4 mt -81.19 -178.42 6.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.62 0.724 . . . . 1.45 112.671 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -130.87 115.42 16.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.282 -1.326 . . . . 1.18 108.338 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.562 HD23 ' HG ' ' A' 2118 ' ' LEU . 2.1 mp -123.23 155.17 65.21 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-O 121.183 0.516 . . . . 2.95 112.246 -167.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' 2118 ' ' LEU . 68.2 Cg_endo -77.15 152.17 30.89 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.404 2.736 . . . . 1.1 112.385 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.52 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 55.5 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.95 2.433 . . . . 0.75 112.106 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 3.47 42.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.86 110.588 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.562 ' HG ' HD23 ' A' 2114 ' ' LEU . 2.0 tm? -37.65 -62.21 0.55 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 114.807 -1.088 . . . . 0.7 112.661 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.471 ' HB ' ' HB1' ' A' 2099 ' ' ALA . 41.7 mm -73.31 -25.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.5 110.912 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 15.0 t80 -67.02 -50.58 61.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.994 -0.548 . . . . 3.49 110.531 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.89 -38.9 64.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.63 -0.714 . . . . 2.0 112.616 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -129.8 64.97 73.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.218 -0.593 . . . . 0.71 111.344 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -81.96 103.88 1.36 Allowed 'Trans proline' 0 N--CA 1.445 -1.376 0 CA-C-N 120.349 1.16 . . . . 0.43 111.371 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.95 144.09 0.43 Allowed Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 124.373 1.069 . . . . 0.5 108.286 170.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.532 ' O ' HG11 ' A' 2067 ' ' VAL . 37.9 Cg_exo -57.76 -54.97 2.7 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 121.57 1.513 . . . . 0.25 112.004 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.508 ' O ' ' HB ' ' A' 2129 ' ' THR . 84.9 t60 -68.43 -34.97 76.93 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.463 -0.335 . . . . 0.8 111.581 -176.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.59 -41.95 92.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.756 0.312 . . . . 0.34 110.894 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 2128 ' ' LEU . 36.6 mt -63.53 -35.26 79.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.64 110.523 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' 2126 ' ' HIS . 86.5 m -51.28 -52.16 47.63 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.348 0.594 . . . . 0.33 110.97 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -44.09 79.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.154 -0.93 . . . . 2.22 110.594 -177.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.759 ' O ' ' HG2' ' A' 2135 ' ' ARG . 85.7 t60 -59.04 -57.65 12.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.59 110.147 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.508 HD11 HD21 ' A' 2114 ' ' LEU . 4.4 mm? -60.46 -33.48 72.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.48 111.423 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -64.02 -57.54 9.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.839 -0.43 . . . . 0.67 109.839 178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.427 ' O ' ' HB3' ' A' 2138 ' ' GLN . 2.8 m -64.27 -22.87 67.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.74 111.866 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.759 ' HG2' ' O ' ' A' 2131 ' ' HIS . 6.0 mmp_? -58.22 -50.79 72.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.056 0.455 . . . . 3.18 111.008 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' 2112 ' ' LEU . 6.5 tp -95.73 -31.13 13.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.872 -0.603 . . . . 2.37 111.365 -172.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' 2049 ' ' MET . 65.9 p -73.13 -46.6 50.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.252 0.549 . . . . 1.41 110.002 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' 2134 ' ' THR . 0.0 OUTLIER -75.76 -21.02 57.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.373 -0.831 . . . . 2.57 109.736 176.006 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 36.9 m 67.95 177.87 0.24 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.997 -1.002 . . . . 3.48 111.977 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 47.8 m80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.793 -0.622 . . . . 6.78 110.675 -179.193 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.505 ' C30' HD21 ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.94 -0.464 . . . . 6.58 111.94 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.402 ' HB3' HD23 ' A' 2112 ' ' LEU . 8.1 m -95.42 3.19 54.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.075 0.464 . . . . 4.27 110.897 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.525 ' C ' ' H ' ' A' 2050 ' ' ARG . 51.8 m170 -91.91 23.11 3.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.091 0.948 . . . . 6.67 109.72 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.453 ' HE2' HD11 ' A' 2136 ' ' LEU . 11.8 ptt? -65.97 20.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.949 -1.478 . . . . 3.75 111.82 171.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.555 ' HA ' ' NE2' ' A' 2059 ' ' GLN . 19.9 mtm180 -86.93 -51.56 5.97 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.129 0.49 . . . . 9.54 110.938 -174.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 77.6 mt -115.14 -24.64 8.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.581 -0.736 . . . . 6.31 111.412 -174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' 2054 ' ' LEU . 43.5 t30 -77.5 115.35 17.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.814 -0.355 . . . . 4.71 110.71 -175.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 68.04 -32.48 0.24 Allowed Glycine 0 CA--C 1.524 0.596 0 CA-C-N 115.37 -0.832 . . . . 3.43 114.365 177.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' 2052 ' ' ASN . 0.5 OUTLIER -100.93 141.82 33.29 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.791 0.805 . . . . 3.31 113.028 -174.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.578 ' H ' ' HB2' ' A' 2058 ' ' GLN . 62.1 p -97.92 167.66 11.31 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 114.386 -1.279 . . . . 2.08 108.037 166.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.601 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 77.9 Cg_exo -42.05 -44.98 7.34 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.542 2.161 . . . . 1.78 112.895 176.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.502 ' O ' ' HG2' ' A' 2061 ' ' GLN . 98.4 mt-30 -66.93 -50.44 62.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.188 -0.46 . . . . 2.4 111.275 177.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.578 ' HB2' ' H ' ' A' 2055 ' ' SER . 46.0 mt-30 -56.99 -35.26 68.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.399 -0.364 . . . . 2.4 111.671 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.686 ' O ' HD13 ' A' 2063 ' ' LEU . 47.1 mt-30 -55.8 -59.89 4.23 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.594 -0.521 . . . . 2.83 109.594 174.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -54.72 -38.2 66.8 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.063 -0.517 . . . . 1.38 112.053 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 2057 ' ' GLN . 12.9 mm100 -59.56 -55.3 36.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 1.97 110.085 176.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 99.3 m -50.7 -58.96 4.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.092 -0.958 . . . . 0.83 111.249 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.686 HD13 ' O ' ' A' 2059 ' ' GLN . 3.9 mp -54.73 -42.51 71.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.601 -0.727 . . . . 0.92 112.07 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.16 69.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.825 0.345 . . . . 0.37 111.083 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.5 m -80.01 -35.86 36.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.167 -0.679 . . . . 0.42 109.167 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.35 -63.22 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.828 -1.078 . . . . 0.37 110.918 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' 2063 ' ' LEU . 7.4 p -55.17 -39.06 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.64 111.189 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.565 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -60.16 -53.24 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.03 -0.532 . . . . 0.29 111.078 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.489 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -64.61 -35.97 82.72 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 120.825 0.345 . . . . 0.29 110.478 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.656 ' O ' HG13 ' A' 2074 ' ' VAL . . . -59.98 -62.23 2.02 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.656 -0.702 . . . . 0.34 110.012 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.409 ' HA ' ' HG ' ' A' 2102 ' ' LEU . 6.3 t -61.25 -32.54 72.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.38 111.416 -176.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -71.83 -26.61 62.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.183 -0.462 . . . . 0.54 111.213 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 60.8 m -88.34 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.114 0.259 . . . . 0.6 111.577 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' 2070 ' ' ALA . 1.1 m -60.3 -37.85 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.633 0.73 . . . . 0.78 109.092 178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.14 -33.77 15.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.893 -1.048 . . . . 1.24 111.208 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 60.14 80.86 0.09 OUTLIER Glycine 0 C--N 1.331 0.256 0 N-CA-C 111.46 -0.656 . . . . 1.3 111.46 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.95 0.18 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.638 0.977 . . . . 2.09 113.638 -168.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . . . . . . . . . 48.9 t60 -157.57 145.82 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.879 -0.728 . . . . 5.96 111.845 -169.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 48.9 m -71.9 120.27 79.15 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.519 -0.764 . . . . 1.52 109.938 173.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.489 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 50.4 Cg_exo -56.66 -32.97 92.39 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.363 2.709 . . . . 0.7 112.615 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.18 -27.68 69.53 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.547 -0.751 . . . . 2.96 111.173 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 22.6 t -105.2 17.55 23.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 1.7 111.181 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.565 HG13 ' HB1' ' A' 2068 ' ' ALA . 3.9 mm -72.67 118.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.46 -0.571 . . . . 0.76 109.46 174.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.2 m -81.63 122.93 80.99 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.995 0.426 . . . . 0.42 110.808 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 55.3 Cg_endo -65.17 -31.04 54.87 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.897 3.065 . . . . 0.36 113.647 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -77.1 -15.06 59.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.288 0.477 . . . . 0.47 112.288 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.1 m -83.45 148.45 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.39 110.846 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' 2092 ' ' LEU . . . -84.86 136.2 33.76 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.268 -0.878 . . . . 0.32 109.213 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' 2094 ' ' ILE . 13.9 m-85 -49.5 -34.74 17.86 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.542 0.526 . . . . 0.48 111.414 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -49.24 61.21 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.518 -0.764 . . . . 2.91 110.648 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.65 -38.8 92.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.447 -0.797 . . . . 1.88 111.85 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' 2088 ' ' ALA . 1.0 OUTLIER -69.49 -21.14 63.71 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.131 -0.228 . . . . 0.73 111.364 -176.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.6 5.99 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.248 -0.977 . . . . 0.27 112.523 177.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' 2094 ' ' ILE . 27.9 mm -69.3 118.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.172 0.511 . . . . 0.28 111.339 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -93.73 -172.45 2.88 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.089 -1.078 . . . . 1.07 108.089 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.03 -21.58 54.32 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 119.655 -0.818 . . . . 0.85 109.29 174.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' A' 2100 ' ' LEU . 17.6 mt -71.55 -50.07 34.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.595 -1.184 . . . . 1.65 110.504 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -14.48 58.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.665 -0.698 . . . . 0.27 112.136 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.58 94.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.29 110.609 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -73.09 -36.74 66.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.4 110.451 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.48 ' N ' HD12 ' A' 2100 ' ' LEU . 5.9 mm-40 -62.24 -40.43 96.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.72 111.209 178.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.496 HD23 ' HB1' ' A' 2070 ' ' ALA . 1.1 tt -56.48 -54.98 39.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.237 0.541 . . . . 0.65 109.635 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -55.12 -47.77 74.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.01 -0.995 . . . . 2.43 110.233 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -50.02 -46.48 52.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 0.48 110.83 177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 22.8 m -65.31 -52.97 50.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.51 111.536 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' 2107 ' ' THR . 3.2 pp -70.32 -28.59 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.792 -0.363 . . . . 1.13 111.602 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.54 ' N ' HD12 ' A' 2106 ' ' LEU . 92.5 m -65.6 -46.01 80.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.22 0.533 . . . . 0.81 110.124 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 77.8 t60 -63.99 -32.41 73.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.598 -0.728 . . . . 2.81 111.143 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -82.05 -28.38 32.46 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.148 0.425 . . . . 2.6 112.148 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 29.3 p -90.44 -39.69 12.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 1.03 111.153 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 107.79 -30.36 9.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.902 -0.666 . . . . 1.05 112.324 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.464 ' H ' ' HG ' ' A' 2112 ' ' LEU . 1.2 pp -93.18 157.99 15.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.793 0.33 . . . . 1.45 110.349 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.54 123.96 34.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.942 -0.572 . . . . 1.18 111.786 -170.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.405 ' HB3' HD21 ' A' 2118 ' ' LEU . 2.6 mm? -104.9 144.08 28.0 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 2.95 110.336 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.18 143.78 84.9 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.018 2.478 . . . . 1.1 112.611 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.87 -10.67 18.1 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.09 2.527 . . . . 0.75 111.894 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' 2120 ' ' PHE . 2.9 p -88.6 5.36 43.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.86 111.42 177.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' 2114 ' ' LEU . 0.4 OUTLIER -34.57 -70.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.773 0.657 . . . . 0.7 112.773 170.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.407 ' CD1' HD11 ' A' 2128 ' ' LEU . 12.0 mm -81.29 -0.17 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 122.017 0.913 . . . . 0.5 109.819 -173.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' 2117 ' ' THR . 4.7 t80 -83.66 -47.14 11.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.899 -1.046 . . . . 3.49 109.221 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.92 -42.22 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 2.0 111.698 -176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -121.81 58.66 9.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 119.074 -0.488 . . . . 0.71 111.786 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.7 104.28 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 CA-C-N 120.905 1.359 . . . . 0.43 111.315 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.75 146.87 0.61 Allowed Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 107.672 -1.233 . . . . 0.5 107.672 171.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.448 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 31.7 Cg_exo -57.8 -52.03 6.87 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.449 1.433 . . . . 0.25 111.227 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.643 ' O ' ' HG3' ' A' 2130 ' ' GLN . 81.3 t60 -66.08 -37.15 85.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.819 -0.628 . . . . 0.8 111.156 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . 0.445 ' HA ' ' OE1' ' A' 2130 ' ' GLN . . . -66.3 -39.19 89.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.556 -0.293 . . . . 0.34 111.451 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' 2119 ' ' ILE . 20.1 mt -65.07 -40.1 94.2 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.688 -0.486 . . . . 0.64 109.688 172.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' 2126 ' ' HIS . 71.8 m -52.49 -41.86 63.77 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.348 0.405 . . . . 0.33 110.296 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' 2126 ' ' HIS . 32.2 mt-30 -63.47 -48.99 75.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 2.22 109.953 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.56 -49.57 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.59 110.74 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' 2135 ' ' ARG . 3.6 mm? -62.93 -32.39 73.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.678 -0.692 . . . . 0.48 110.635 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -72.82 -33.52 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.06 -0.348 . . . . 0.67 110.06 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.59 ' HA ' ' OG1' ' A' 2137 ' ' THR . 33.0 m -64.44 -30.8 71.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.74 109.935 176.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' 2132 ' ' LEU . 8.8 mmm180 -56.79 -33.74 66.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 3.18 111.296 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.453 HD11 ' HE2' ' A' 2049 ' ' MET . 1.0 OUTLIER -89.7 -35.83 15.56 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.367 -0.379 . . . . 2.37 110.995 -179.437 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . 0.59 ' OG1' ' HA ' ' A' 2134 ' ' THR . 52.7 p -77.82 -18.22 56.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 1.41 111.217 -175.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -57.73 -51.56 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.717 -0.674 . . . . 2.57 111.098 175.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 25.8 m 60.79 176.28 0.1 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.477 0.656 . . . . 3.48 111.856 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.542 -0.742 . . . . 6.78 109.767 177.511 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.227 -0.349 . . . . 6.58 112.227 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' 2110 ' ' THR . 6.2 m -78.53 149.17 33.14 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.076 -0.342 . . . . 4.27 110.076 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -80.25 20.75 0.65 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.299 0.571 . . . . 6.67 110.976 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.511 ' CG ' ' HG ' ' A' 2136 ' ' LEU . 56.0 mtt -67.22 -24.18 65.8 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.552 -0.749 . . . . 3.75 110.881 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -84.97 -1.57 56.9 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.101 -0.954 . . . . 9.54 111.162 -174.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 10.8 mp -93.27 24.43 3.86 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.223 -0.444 . . . . 6.31 111.424 -176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.4 p30 -48.68 140.38 8.43 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.14 0.495 . . . . 4.71 110.987 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 108.0 -6.22 34.76 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.561 -1.016 . . . . 3.43 110.561 -171.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.546 ' CD1' ' HG3' ' A' 2059 ' ' GLN . 2.9 pp -72.15 148.56 45.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.666 -0.767 . . . . 3.31 110.242 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.425 ' O ' HD12 ' A' 2054 ' ' LEU . 7.1 m -79.43 145.46 63.81 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.349 -0.982 . . . . 2.08 108.349 169.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.446 ' O ' ' HG3' ' A' 2060 ' ' GLN . 97.6 Cg_exo -41.23 -46.49 5.48 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.248 2.632 . . . . 1.78 114.403 -174.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.57 -18.4 61.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.027 0.38 . . . . 2.4 112.027 -175.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -57.18 -53.7 55.07 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.046 0.45 . . . . 2.4 110.915 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.666 ' O ' HD13 ' A' 2063 ' ' LEU . 6.5 mt-30 -68.37 -42.06 79.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.051 -0.522 . . . . 2.83 110.925 175.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' 2056 ' ' PRO . 78.1 mt-30 -54.53 -41.05 69.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.507 0.558 . . . . 1.38 112.507 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -67.54 -40.66 85.01 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.429 -0.509 . . . . 1.97 110.887 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 94.3 m -57.18 -58.57 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.83 110.746 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' 2059 ' ' GLN . 6.3 mp -61.51 -35.4 77.6 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.077 -0.965 . . . . 0.92 112.099 -177.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.36 -27.58 68.67 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.994 0.426 . . . . 0.37 110.807 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 31.6 m -85.55 -32.82 21.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.902 -0.59 . . . . 0.42 109.411 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 20.3 tp -59.51 -63.03 1.45 Allowed 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.46 -0.791 . . . . 0.37 110.534 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' 2063 ' ' LEU . 6.1 p -54.89 -38.54 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.933 -0.576 . . . . 0.64 111.216 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.409 ' HA ' HG21 ' A' 2083 ' ' ILE . . . -59.35 -52.1 67.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.29 110.832 175.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -70.71 -27.51 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 0.29 110.876 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.28 -55.31 29.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.018 -0.537 . . . . 0.34 110.015 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.538 ' CG2' HD12 ' A' 2083 ' ' ILE . 5.5 t -70.54 -28.35 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 0.38 110.304 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' 2078 ' ' HIS . . . -67.99 -15.01 63.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.54 110.569 174.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 55.1 m -90.25 -36.17 14.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.131 -0.486 . . . . 0.6 111.178 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' 2070 ' ' ALA . 0.7 OUTLIER -82.05 -39.19 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.074 0.464 . . . . 0.78 110.464 -176.316 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.475 HD21 HD13 ' A' 2094 ' ' ILE . 56.6 mt -90.64 143.38 26.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.734 -0.667 . . . . 1.24 111.463 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -70.33 -20.1 76.51 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.557 -0.747 . . . . 1.3 114.09 -173.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 22.0 p80 -66.28 -30.25 70.63 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.599 0.7 . . . . 2.09 110.701 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.468 ' HD2' ' O ' ' A' 2075 ' ' LEU . 11.3 m170 54.09 -158.38 0.18 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.509 -0.768 . . . . 5.96 111.458 -178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 4.8 m 68.49 101.32 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.186 0 C-N-CA 123.082 0.553 . . . . 1.52 111.713 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.12 -15.01 35.61 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.621 2.214 . . . . 0.7 110.699 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -69.73 -39.03 77.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.332 -1.304 . . . . 2.96 110.698 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 12.8 m -82.22 0.15 42.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.075 -0.966 . . . . 1.7 110.988 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.538 HD12 ' CG2' ' A' 2071 ' ' THR . 8.1 mm -80.56 102.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.746 -0.661 . . . . 0.76 110.261 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' 2087 ' ' THR . 32.0 m -84.5 129.83 55.96 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.919 0.39 . . . . 0.42 110.006 177.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.467 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.9 Cg_endo -65.78 -30.9 49.48 Favored 'Trans proline' 0 N--CA 1.472 0.241 0 C-N-CA 123.724 2.949 . . . . 0.36 113.758 -171.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -86.1 -9.92 55.81 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.95 0.352 . . . . 0.47 111.95 -176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.5 m -83.22 152.92 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.367 0.604 . . . . 0.39 110.781 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -89.19 140.21 29.7 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.028 -0.987 . . . . 0.32 109.72 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.437 ' HB3' HG13 ' A' 2094 ' ' ILE . 16.1 m-85 -57.2 -24.43 54.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.123 -0.49 . . . . 0.48 111.869 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -51.04 -65.1 0.61 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.12 0.486 . . . . 2.91 110.28 168.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -27.31 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.008 -0.996 . . . . 1.88 112.893 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' 2092 ' ' LEU . 0.7 OUTLIER -75.76 -22.55 56.35 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.591 -0.444 . . . . 0.73 111.833 178.342 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.92 -0.47 9.14 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.213 -0.994 . . . . 0.27 113.151 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.475 HD13 HD21 ' A' 2075 ' ' LEU . 28.1 mm -68.62 124.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.158 0.504 . . . . 0.28 112.126 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' 2099 ' ' ALA . 16.6 m-20 -103.2 -165.75 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.064 -1.087 . . . . 1.07 108.064 170.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -31.78 62.88 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.58 0.705 . . . . 0.85 109.502 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' 2100 ' ' LEU . 19.9 mt -60.86 -50.67 72.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.39 -1.277 . . . . 1.65 110.453 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.4 p -86.16 -10.44 54.77 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.243 -0.889 . . . . 0.27 111.968 -178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' 2119 ' ' ILE . . . -63.91 -38.71 92.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.14 0.495 . . . . 0.29 109.966 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.6 pp -76.67 -37.19 56.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.284 -0.416 . . . . 0.4 110.61 179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.8 mm-40 -63.76 -42.23 97.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.317 . . . . 0.72 111.641 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.52 HD11 ' HB ' ' A' 2071 ' ' THR . 1.1 tt -60.19 -53.64 55.29 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.876 -0.416 . . . . 0.65 109.876 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.546 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 39.2 ttp-105 -54.46 -41.42 69.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.751 -0.659 . . . . 2.43 110.865 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' 2101 ' ' GLU . 80.4 m-20 -50.6 -49.02 57.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.96 0.409 . . . . 0.48 110.935 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 12.3 m -64.47 -42.22 96.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.743 -0.662 . . . . 0.51 110.593 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.8 -40.34 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 1.13 111.178 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 7.0 m -72.37 -28.56 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.357 0.599 . . . . 0.81 109.966 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -74.49 -24.34 59.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.571 -0.74 . . . . 2.81 110.657 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.43 -51.74 68.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.214 0.531 . . . . 2.6 111.041 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.673 HG21 HD11 ' A' 2136 ' ' LEU . 15.0 p -105.83 -14.32 15.26 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.464 -0.789 . . . . 1.03 112.758 -169.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 76.94 -7.61 34.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.53 -0.843 . . . . 1.05 112.813 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' 2112 ' ' LEU . 2.9 pp -78.36 -171.77 2.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.192 -0.299 . . . . 1.45 110.192 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -102.15 141.48 34.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 120.794 0.331 . . . . 1.18 110.208 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 8.9 tp -137.55 132.57 17.65 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.897 -0.592 . . . . 2.95 109.404 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' 2118 ' ' LEU . 31.4 Cg_endo -63.94 141.88 79.42 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.13 2.553 . . . . 1.1 112.453 -176.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.546 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 26.0 Cg_exo -60.15 -21.29 65.42 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.931 2.421 . . . . 0.75 111.753 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 10.1 p -84.02 2.65 38.05 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.323 -0.853 . . . . 0.86 111.212 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -41.18 -69.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.439 -0.8 . . . . 0.7 112.664 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' 2099 ' ' ALA . 31.2 mm -75.2 -18.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.394 0.616 . . . . 0.5 110.385 -176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.39 -39.73 74.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.573 -0.739 . . . . 3.49 110.06 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -43.02 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.46 -0.791 . . . . 2.0 111.912 -173.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -123.4 65.24 30.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.71 111.401 -175.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.41 ' HG3' ' C8 ' ' A' 2201 ' ' 66S . 70.1 Cg_endo -81.6 104.41 1.46 Allowed 'Trans proline' 0 N--CA 1.444 -1.387 0 CA-C-N 120.451 1.197 . . . . 0.43 110.825 176.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.13 137.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 114.625 -1.17 . . . . 0.5 108.606 174.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' 2085 ' ' PRO . 31.3 Cg_exo -59.22 -54.76 2.34 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.835 1.69 . . . . 0.25 112.307 -177.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.588 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.4 t60 -69.84 -31.15 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.8 111.474 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -71.83 -43.91 64.78 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.105 -0.238 . . . . 0.34 110.966 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 20.2 mt -56.56 -38.92 72.59 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.563 -0.29 . . . . 0.64 110.433 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' 2126 ' ' HIS . 94.5 m -49.07 -53.23 21.38 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.91 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -64.05 -35.56 81.12 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.214 -0.903 . . . . 2.22 111.39 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.46 ' O ' ' HG2' ' A' 2135 ' ' ARG . 72.7 t60 -67.47 -52.95 33.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.908 0.385 . . . . 0.59 110.95 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' 2136 ' ' LEU . 3.9 mm? -63.99 -28.8 70.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.038 -0.528 . . . . 0.48 110.339 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.74 -42.49 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.67 109.885 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 89.5 m -61.21 -33.98 74.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.878 -0.601 . . . . 0.74 110.973 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' 2139 ' ' SER . 17.6 mmm180 -68.4 -17.31 64.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 3.18 110.795 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.673 HD11 HG21 ' A' 2110 ' ' THR . 8.8 mp -101.51 -39.37 7.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.839 -0.618 . . . . 2.37 111.518 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 40.1 p -90.95 -41.95 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.161 0.505 . . . . 1.41 111.475 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.87 -34.06 26.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.919 -0.582 . . . . 2.57 110.738 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' 2135 ' ' ARG . 27.5 t -105.58 112.35 25.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.886 0.374 . . . . 3.48 110.488 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 47.9 t-80 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.579 -0.724 . . . . 6.78 110.007 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.41 ' C8 ' ' HG3' ' A' 2123 ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.835 -0.506 . . . . 6.58 111.835 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.643 ' HB2' ' O ' ' A' 2110 ' ' THR . 33.2 t -112.48 175.38 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.013 0.435 . . . . 4.27 110.132 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -111.03 21.29 16.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.349 0.595 . . . . 6.67 109.412 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.415 ' HE2' ' HA ' ' A' 2136 ' ' LEU . 32.8 mtt -71.71 -16.44 62.23 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.333 -0.849 . . . . 3.75 111.773 -175.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -67.96 -20.3 65.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.588 0.709 . . . . 9.54 110.186 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' 2054 ' ' LEU . 7.9 mp -87.8 22.61 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.509 -0.769 . . . . 6.31 110.414 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -54.32 148.51 11.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.319 0.581 . . . . 4.71 110.805 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 110.61 -11.76 30.31 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.069 -0.812 . . . . 3.43 111.069 -173.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' 2051 ' ' LEU . 81.9 mt -63.57 135.31 56.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.874 0.369 . . . . 3.31 110.474 175.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 4.1 p -69.67 155.83 92.8 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.924 -0.58 . . . . 2.08 109.565 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' A' 2060 ' ' GLN . 90.0 Cg_exo -42.93 -48.1 7.8 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.123 2.549 . . . . 1.78 113.519 -176.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -66.04 -28.87 69.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.527 0.566 . . . . 2.4 112.527 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' 2058 ' ' GLN . 11.5 mm-40 -71.63 -44.31 64.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.216 0.531 . . . . 2.4 110.62 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.644 ' O ' HD13 ' A' 2063 ' ' LEU . 20.0 mm-40 -68.46 -50.59 51.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.943 -0.571 . . . . 2.83 110.503 174.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' 2056 ' ' PRO . 64.5 mt-30 -54.2 -39.0 66.27 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 113.055 0.761 . . . . 1.38 113.055 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' 2062 ' ' THR . 3.6 pt20 -66.17 -43.64 86.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.805 -0.758 . . . . 1.97 110.233 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.435 ' N ' ' HG3' ' A' 2061 ' ' GLN . 91.2 m -57.4 -60.19 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.21 0.528 . . . . 0.83 110.722 175.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' 2059 ' ' GLN . 5.4 mp -58.38 -36.16 73.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.309 -0.86 . . . . 0.92 112.063 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.1 71.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.734 0.302 . . . . 0.37 110.875 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 23.6 m -79.89 -29.88 40.0 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.718 . . . . 0.42 109.06 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.54 -64.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.948 -1.024 . . . . 0.37 110.638 173.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' 2063 ' ' LEU . 7.5 p -54.29 -40.49 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.953 -0.567 . . . . 0.64 111.541 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.54 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -59.36 -51.56 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.161 -0.472 . . . . 0.29 111.042 175.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.474 ' CA ' ' HB3' ' A' 2080 ' ' PRO . . . -68.29 -30.48 69.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.811 0.339 . . . . 0.29 110.542 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.706 ' O ' HG13 ' A' 2074 ' ' VAL . . . -61.05 -63.01 1.44 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.03 -0.532 . . . . 0.34 109.643 177.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.442 ' HB ' HD11 ' A' 2102 ' ' LEU . 10.6 t -60.04 -35.38 74.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.38 111.18 -177.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' 2078 ' ' HIS . . . -70.37 -27.38 64.29 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.758 -0.656 . . . . 0.54 111.536 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 65.8 m -90.14 -36.1 15.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.119 0.414 . . . . 0.6 112.119 -176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' 2070 ' ' ALA . 1.0 OUTLIER -60.21 -33.93 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.827 -0.805 . . . . 0.78 108.827 178.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.453 HD23 HG21 ' A' 2098 ' ' THR . 58.7 mt -89.57 -44.16 10.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.708 -1.133 . . . . 1.24 110.882 174.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 69.63 77.86 0.4 Allowed Glycine 0 CA--C 1.511 -0.164 0 N-CA-C 111.206 -0.758 . . . . 1.3 111.206 -176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.52 -3.28 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.242 0.83 . . . . 2.09 113.242 -169.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.483 ' O ' ' HB1' ' A' 2072 ' ' ALA . 48.2 t60 -157.11 141.51 16.54 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.866 -0.734 . . . . 5.96 112.134 -168.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 26.4 m -69.65 130.89 90.02 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 1.52 109.529 173.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.474 ' HB3' ' CA ' ' A' 2069 ' ' ALA . 14.8 Cg_exo -67.76 -26.03 39.17 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 122.718 2.279 . . . . 0.7 110.956 -173.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.94 -19.37 65.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.341 -1.299 . . . . 2.96 110.569 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 43.1 t -110.46 14.7 22.49 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.474 -0.785 . . . . 1.7 111.168 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.54 HG13 ' HB1' ' A' 2068 ' ' ALA . 4.3 mm -79.48 118.9 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 O-C-N 122.043 -0.411 . . . . 0.76 110.116 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' 2125 ' ' PRO . 22.5 m -81.3 129.23 67.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 121.096 0.474 . . . . 0.42 111.029 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 74.2 Cg_endo -69.96 -33.07 16.54 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 123.587 2.858 . . . . 0.36 114.359 -174.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -81.17 -13.47 58.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.006 0.372 . . . . 0.47 112.006 -174.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.5 m -80.48 154.74 27.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.253 0.549 . . . . 0.39 110.884 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.477 ' O ' HD22 ' A' 2092 ' ' LEU . . . -88.81 141.71 28.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.58 -0.736 . . . . 0.32 109.88 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.485 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 25.4 m-85 -55.65 -28.72 56.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.739 0.304 . . . . 0.48 110.835 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -51.42 23.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.459 -0.791 . . . . 2.91 110.069 171.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.14 -35.08 66.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.459 -1.246 . . . . 1.88 111.78 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' 2088 ' ' ALA . 0.5 OUTLIER -67.62 -21.21 65.4 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 121.1 -0.24 . . . . 0.73 111.4 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 123.17 10.82 5.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.27 112.563 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' 2089 ' ' PHE . 35.3 mm -81.17 126.23 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.809 0.337 . . . . 0.28 111.27 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.18 -169.32 1.45 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.188 -1.041 . . . . 1.07 108.188 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -24.45 62.16 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.938 -0.705 . . . . 0.85 110.025 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.588 ' O ' ' HG ' ' A' 2100 ' ' LEU . 46.5 mt -66.11 -54.92 19.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.019 -0.991 . . . . 1.65 110.477 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.453 HG21 HD23 ' A' 2075 ' ' LEU . 2.7 p -82.22 -14.09 56.07 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.036 -0.983 . . . . 0.27 112.287 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' 2119 ' ' ILE . . . -56.96 -40.99 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.885 0.374 . . . . 0.29 110.515 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.4 pp -75.33 -35.98 61.13 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.747 -0.381 . . . . 0.4 110.715 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' 2104 ' ' ASN . 6.7 mm-40 -63.9 -40.28 96.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.852 0.358 . . . . 0.72 110.964 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.442 HD11 ' HB ' ' A' 2071 ' ' THR . 0.8 OUTLIER -61.2 -53.26 59.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.65 110.402 175.044 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 46.8 ttp85 -52.93 -39.92 63.23 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.038 -0.528 . . . . 2.43 110.748 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' 2101 ' ' GLU . 75.4 m-20 -51.98 -53.41 41.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.48 110.945 175.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.9 m -61.94 -45.21 94.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.363 . . . . 0.51 110.972 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' 2102 ' ' LEU . 89.9 mt -60.6 -38.98 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 1.13 111.448 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 62.7 m -67.91 -32.96 73.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.0 -0.545 . . . . 0.81 111.065 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 7.5 m170 -68.63 -19.38 64.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 2.81 111.771 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.32 -30.87 65.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.008 0.433 . . . . 2.6 111.181 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.643 ' O ' ' HB2' ' A' 2047 ' ' SER . 25.6 p -111.93 -25.72 9.27 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.519 0.563 . . . . 1.03 112.519 -176.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 75.71 5.81 79.89 Favored Glycine 0 N--CA 1.454 -0.145 0 C-N-CA 120.73 -0.748 . . . . 1.05 111.392 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.464 ' HG ' ' HB ' ' A' 2110 ' ' THR . 51.9 mt -78.78 -167.94 1.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.823 -0.689 . . . . 1.45 110.709 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 39.1 t70 -122.81 96.51 5.05 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.713 0.768 . . . . 1.18 110.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.44 133.26 33.33 Favored Pre-proline 0 C--N 1.31 -1.118 0 CA-C-N 114.385 -1.28 . . . . 2.95 109.777 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' A' 2118 ' ' LEU . 22.3 Cg_endo -61.37 144.28 98.28 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 C-N-CA 123.107 2.538 . . . . 1.1 111.877 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.403 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 14.4 Cg_endo -59.06 -9.38 7.87 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.899 2.4 . . . . 0.75 112.383 176.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 7.8 p -93.57 3.43 55.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.025 -0.534 . . . . 0.86 110.803 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.3 tm? -39.49 -69.91 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.871 0.869 . . . . 0.7 112.249 177.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' 2099 ' ' ALA . 41.8 mm -73.92 -20.26 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.444 0.64 . . . . 0.5 110.457 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.45 -31.57 65.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.599 -0.728 . . . . 3.49 110.63 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.8 -39.58 10.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.753 -0.658 . . . . 2.0 112.11 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -130.66 65.56 76.6 Favored Pre-proline 0 N--CA 1.465 0.304 0 C-N-CA 120.578 -0.449 . . . . 0.71 111.513 -174.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -81.07 104.5 1.55 Allowed 'Trans proline' 0 N--CA 1.442 -1.504 0 CA-C-N 120.45 1.196 . . . . 0.43 110.584 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.43 138.31 0.41 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.761 -1.109 . . . . 0.5 108.858 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.5 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 40.7 Cg_exo -57.31 -58.27 0.95 Allowed 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 121.959 1.773 . . . . 0.25 112.542 -177.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' A' 2129 ' ' THR . 85.0 t60 -70.4 -34.54 72.67 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.793 0.294 . . . . 0.8 111.793 -175.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.52 89.72 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.972 -0.291 . . . . 0.34 111.251 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.419 HD13 HD11 ' A' 2106 ' ' LEU . 37.6 mt -57.58 -39.75 77.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.576 -0.284 . . . . 0.64 110.459 171.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.645 ' HB ' ' O ' ' A' 2126 ' ' HIS . 93.2 m -52.45 -42.7 64.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.953 -0.567 . . . . 0.33 110.461 175.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' 2126 ' ' HIS . 55.6 mt-30 -64.14 -44.65 91.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.343 -0.844 . . . . 2.22 110.487 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 21.0 t60 -61.56 -52.95 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.59 110.902 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.4 mm? -66.03 -30.31 70.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.726 -0.389 . . . . 0.48 110.163 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -61.1 -35.76 77.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.741 0.305 . . . . 0.67 110.603 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.593 ' O ' ' HG3' ' A' 2138 ' ' GLN . 12.5 m -69.73 -41.99 74.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.74 110.045 175.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' 2138 ' ' GLN . 6.5 mmt180 -59.99 -43.53 95.09 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.888 -0.597 . . . . 3.18 111.482 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.415 ' HA ' ' HE2' ' A' 2049 ' ' MET . 2.0 mm? -65.05 -44.91 87.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.521 -0.308 . . . . 2.37 111.607 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 17.9 p -73.7 -8.76 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.039 0.447 . . . . 1.41 111.597 -176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 2134 ' ' THR . 17.8 mt-30 -65.53 -22.9 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.784 -0.644 . . . . 2.57 111.387 176.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 41.9 t -116.6 132.26 56.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.978 0.418 . . . . 3.48 110.469 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.704 -0.665 . . . . 6.78 109.28 177.305 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.482 ' O26' ' HG ' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.778 -0.529 . . . . 6.58 111.778 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' 2049 ' ' MET . 1.1 m -95.87 131.89 41.72 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 110.049 -0.352 . . . . 4.27 110.049 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 25.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.809 0.814 . . . . 6.67 110.377 171.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.559 ' H ' ' C ' ' A' 2047 ' ' SER . 27.8 mtt -81.5 16.27 1.76 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.095 -0.957 . . . . 3.75 112.044 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -85.41 -12.04 52.99 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.279 -0.568 . . . . 9.54 109.632 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 97.7 mt -84.59 16.12 3.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.391 -0.822 . . . . 6.31 110.214 175.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -66.74 134.25 51.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.721 -0.672 . . . . 4.71 109.912 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 111.02 -5.25 28.86 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.311 -0.947 . . . . 3.43 111.997 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.514 ' HB2' ' HG3' ' A' 2059 ' ' GLN . 36.1 mt -73.54 171.74 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.97 -0.382 . . . . 3.31 109.97 171.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 21.7 m -75.26 160.44 80.03 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.24 -0.652 . . . . 2.08 109.24 174.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.583 ' O ' ' HG3' ' A' 2060 ' ' GLN . 88.7 Cg_exo -44.66 -56.13 2.83 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.978 2.452 . . . . 1.78 113.448 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.78 -37.18 81.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.827 0.346 . . . . 2.4 111.45 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -61.55 -32.54 72.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.52 . . . . 2.4 110.787 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.713 ' O ' ' HG ' ' A' 2063 ' ' LEU . 23.9 mt-30 -80.84 -44.95 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.26 -0.427 . . . . 2.83 110.718 173.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' 2056 ' ' PRO . 54.0 mt-30 -50.43 -40.64 50.95 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 112.936 0.717 . . . . 1.38 112.936 -178.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.38 -45.16 88.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.23 0.456 . . . . 1.97 112.23 -176.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . 0.424 HG22 ' O ' ' A' 2059 ' ' GLN . 9.5 t -71.52 -16.74 62.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.243 0.544 . . . . 0.83 110.91 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 2059 ' ' GLN . 14.9 mt -88.51 -38.18 15.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.203 -0.453 . . . . 0.92 109.957 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.11 69.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.512 -0.767 . . . . 0.37 109.869 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 63.7 m -74.21 -30.28 62.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.423 -0.808 . . . . 0.42 109.713 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 17.6 tp -70.85 -63.74 1.04 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.773 -0.649 . . . . 0.37 110.583 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' 2063 ' ' LEU . 5.7 p -53.92 -40.08 43.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.003 -0.544 . . . . 0.64 111.959 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -62.0 -52.94 61.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.29 110.603 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.78 71.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.29 110.532 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' 2074 ' ' VAL . . . -61.93 -59.72 4.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.575 -0.739 . . . . 0.34 110.506 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.536 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -69.12 -27.81 65.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.38 110.565 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.545 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -64.57 -36.1 83.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.698 -0.683 . . . . 0.54 110.412 174.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 62.0 m -68.86 -34.0 74.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.226 0.536 . . . . 0.6 110.493 177.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.808 HG12 HG22 ' A' 2098 ' ' THR . 2.2 t -72.5 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.753 -0.658 . . . . 0.78 111.008 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.572 HD11 HD13 ' A' 2094 ' ' ILE . 8.1 mp -69.91 140.09 53.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.819 -0.628 . . . . 1.24 111.493 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -72.79 80.8 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 116.033 -0.53 . . . . 1.3 113.198 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 31.8 p80 -175.28 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.154 -0.684 . . . . 2.09 109.154 176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.545 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 25.8 t-80 45.41 82.42 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.314 -0.857 . . . . 5.96 112.762 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.41 97.51 5.12 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.191 -0.913 . . . . 1.52 109.699 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.514 ' HA ' HD12 ' A' 2083 ' ' ILE . 2.7 Cg_exo -74.37 -18.48 20.41 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.612 2.208 . . . . 0.7 110.295 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.61 -35.69 76.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.075 -1.421 . . . . 2.96 111.134 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -99.53 6.29 45.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.811 -0.631 . . . . 1.7 111.24 -173.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.536 HD13 ' CG2' ' A' 2071 ' ' THR . 37.1 mt -87.12 96.97 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.76 110.362 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 22.1 m -81.14 132.27 56.93 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.479 -0.782 . . . . 0.42 110.631 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' 2126 ' ' HIS . 60.6 Cg_endo -68.86 -25.94 32.47 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.411 2.74 . . . . 0.36 112.934 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -73.49 -24.18 60.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 0.47 111.282 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . . . . . . . . . 2.0 m -84.42 156.48 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.39 110.334 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -96.58 147.26 24.05 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.116 -0.493 . . . . 0.32 110.375 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.43 ' HB3' ' HB ' ' A' 2094 ' ' ILE . 11.7 m-85 -53.25 -33.17 51.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.921 0.391 . . . . 0.48 110.905 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.06 -44.4 67.44 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.364 -0.834 . . . . 2.91 110.684 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.64 -30.86 36.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.636 -1.165 . . . . 1.88 111.921 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -22.74 63.08 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.795 0.294 . . . . 0.73 111.795 -178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 126.48 18.39 2.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 119.901 -1.143 . . . . 0.27 113.0 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.572 HD13 HD11 ' A' 2075 ' ' LEU . 29.2 mm -89.5 130.62 38.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.025 0.44 . . . . 0.28 111.413 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.89 -165.27 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.125 -1.065 . . . . 1.07 108.125 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -25.65 62.87 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.6 -0.84 . . . . 0.85 110.01 176.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' 2100 ' ' LEU . 44.8 mt -65.15 -60.59 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.959 -1.019 . . . . 1.65 110.43 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.808 HG22 HG12 ' A' 2074 ' ' VAL . 1.1 p -73.78 -17.82 61.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.13 -0.941 . . . . 0.27 112.083 -177.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' 2119 ' ' ILE . . . -58.83 -42.75 89.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.954 0.407 . . . . 0.29 110.769 177.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.2 pp -78.07 -35.4 49.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.59 -0.444 . . . . 0.4 110.203 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' 2104 ' ' ASN . 5.3 mm-40 -62.86 -40.67 98.18 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.231 0.539 . . . . 0.72 110.891 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.32 -53.31 50.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.741 -0.663 . . . . 0.65 109.693 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 40.4 ttp-105 -54.3 -41.59 69.13 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.595 -0.73 . . . . 2.43 110.811 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' 2101 ' ' GLU . 76.5 m-20 -50.14 -50.38 48.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.992 0.425 . . . . 0.48 110.809 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 27.3 m -66.21 -45.44 80.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 0.51 110.851 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.67 -42.38 88.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 1.13 111.208 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 28.1 m -62.36 -44.48 96.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.101 0.477 . . . . 0.81 110.563 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.07 -26.46 65.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.828 -0.624 . . . . 2.81 110.987 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -93.36 -4.6 51.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.238 -0.437 . . . . 2.6 111.598 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.405 HG21 HD12 ' A' 2132 ' ' LEU . 21.0 p -110.63 -27.56 8.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.583 -0.281 . . . . 1.03 111.24 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 84.21 -14.12 46.53 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 121.065 -0.588 . . . . 1.05 112.847 173.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' 2112 ' ' LEU . 3.4 pp -103.57 -170.14 1.74 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.92 0.391 . . . . 1.45 110.763 -176.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -118.33 117.82 30.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.075 -0.511 . . . . 1.18 110.584 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.64 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -119.86 177.27 1.44 Allowed Pre-proline 0 C--N 1.316 -0.85 0 CA-C-N 115.578 -0.737 . . . . 2.95 109.364 179.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.64 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.8 Cg_endo -88.33 153.29 6.67 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.296 1.997 . . . . 1.1 112.934 -170.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.45 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 12.6 Cg_exo -68.25 -15.59 42.78 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.892 2.395 . . . . 0.75 111.431 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 3.9 p -83.5 -0.78 51.73 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.141 -0.936 . . . . 0.86 110.864 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.1 tm? -34.46 -67.03 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 114.972 -1.013 . . . . 0.7 112.83 176.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' 2099 ' ' ALA . 34.1 mm -79.31 -20.41 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.102 0.477 . . . . 0.5 110.803 -175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -67.02 -47.84 70.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.336 0.589 . . . . 3.49 110.042 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -81.11 -42.45 20.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.95 . . . . 2.0 112.167 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -127.06 63.09 55.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 C-N-CA 120.369 -0.532 . . . . 0.71 111.836 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -81.82 104.37 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 CA-C-N 120.39 1.175 . . . . 0.43 111.299 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.26 148.31 0.73 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 114.971 -1.013 . . . . 0.5 108.318 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.61 -54.51 0.74 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 121.711 1.608 . . . . 0.25 111.212 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.626 ' O ' ' HB ' ' A' 2129 ' ' THR . 76.2 t60 -67.42 -31.35 71.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.8 111.907 -177.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -74.69 -41.16 60.74 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.816 -0.354 . . . . 0.34 111.567 -175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.92 -35.96 78.06 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.637 -0.505 . . . . 0.64 109.637 172.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' 2126 ' ' HIS . 95.5 m -53.11 -37.25 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.146 -0.933 . . . . 0.33 110.807 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' 2133 ' ' HIS . 16.4 mt-30 -73.89 -36.94 64.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.445 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 56.1 t60 -70.56 -43.35 69.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.59 110.812 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.405 HD12 HG21 ' A' 2110 ' ' THR . 2.8 mm? -74.28 -20.08 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.469 -0.493 . . . . 0.48 110.41 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . 0.47 ' NE2' ' HA ' ' A' 2056 ' ' PRO . 14.2 t-80 -62.18 -38.47 89.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.5 -0.555 . . . . 0.67 109.5 172.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 32.2 m -63.88 -38.84 92.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.612 -0.722 . . . . 0.74 110.726 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -62.99 -37.0 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.041 0.448 . . . . 3.18 110.884 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.405 ' HG ' ' HG2' ' A' 2049 ' ' MET . 9.3 mp -73.69 -41.34 62.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 2.37 111.314 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 19.1 p -75.09 -22.72 58.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.175 0.512 . . . . 1.41 111.063 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -70.73 -24.85 62.71 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.721 -0.672 . . . . 2.57 110.606 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 23.1 t -90.54 119.25 30.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.932 -0.576 . . . . 3.48 109.771 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.738 -0.649 . . . . 6.78 110.393 -179.48 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.738 -0.545 . . . . 6.58 111.738 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 17.4 m -81.17 115.85 20.79 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.16 0.505 . . . . 4.27 111.331 -175.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 63.9 m170 -115.82 20.52 14.49 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.802 -0.814 . . . . 6.67 108.802 172.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.52 ' HG3' ' HG2' ' A' 2050 ' ' ARG . 9.9 ptt? -46.94 -41.05 15.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.633 -1.167 . . . . 3.75 113.991 -172.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . 0.52 ' HG2' ' HG3' ' A' 2049 ' ' MET . 24.2 mmt180 -107.08 7.43 29.69 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.796 0.331 . . . . 9.54 111.082 -174.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' 2136 ' ' LEU . 10.9 mp -89.77 -10.67 44.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.064 0.459 . . . . 6.31 110.531 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 24.9 t30 -76.89 117.07 18.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.828 -0.624 . . . . 4.71 109.856 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 74.29 -31.19 0.97 Allowed Glycine 0 CA--C 1.523 0.565 0 CA-C-N 116.147 -0.479 . . . . 3.43 113.271 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.434 ' HG ' ' CB ' ' A' 2058 ' ' GLN . 0.5 OUTLIER -92.09 125.47 36.79 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.229 0.538 . . . . 3.31 112.239 -177.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' A' 2056 ' ' PRO . 16.8 m -72.06 164.24 60.56 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.77 -0.826 . . . . 2.08 108.77 169.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' 2055 ' ' SER . 68.7 Cg_exo -41.9 -50.69 4.96 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.001 2.468 . . . . 1.78 113.832 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -73.19 -31.62 64.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.244 0.461 . . . . 2.4 112.244 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.434 ' CB ' ' HG ' ' A' 2054 ' ' LEU . 15.2 mm-40 -63.06 -32.58 73.98 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.392 0.615 . . . . 2.4 109.823 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.647 ' O ' HD13 ' A' 2063 ' ' LEU . 69.7 mt-30 -59.14 -51.14 71.29 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.475 -0.784 . . . . 2.83 110.397 173.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -51.43 -51.36 55.49 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 112.771 0.656 . . . . 1.38 112.771 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -60.43 -39.02 85.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.196 -0.602 . . . . 1.97 110.672 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 72.6 m -59.25 -59.33 5.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.83 110.601 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' 2059 ' ' GLN . 6.7 mp -55.22 -38.42 68.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.92 111.881 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.58 67.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.37 111.016 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 24.3 m -85.92 -34.48 20.91 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.297 -0.631 . . . . 0.42 109.297 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.82 -62.24 2.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.37 110.465 174.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' 2063 ' ' LEU . 10.2 p -58.05 -38.58 68.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.623 -0.717 . . . . 0.64 111.601 -178.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -57.77 -51.25 70.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.098 -0.334 . . . . 0.29 110.098 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.683 0.278 . . . . 0.29 110.732 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' 2074 ' ' VAL . . . -65.21 -50.87 64.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.403 -0.362 . . . . 0.34 111.173 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.643 ' CG2' HD13 ' A' 2083 ' ' ILE . 3.8 t -76.16 -18.38 59.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.455 0.645 . . . . 0.38 110.274 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' A' 2078 ' ' HIS . . . -73.73 -39.74 64.07 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.486 -0.779 . . . . 0.54 110.357 170.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 86.6 m -65.22 -35.85 82.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.748 0.309 . . . . 0.6 111.64 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' 2070 ' ' ALA . 0.1 OUTLIER -73.72 -60.77 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.78 111.693 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.518 HD11 HD13 ' A' 2094 ' ' ILE . 9.7 mp -60.94 128.08 34.73 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 1.24 112.008 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -52.17 -30.89 32.71 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 115.238 0.855 . . . . 1.3 115.238 -172.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 29.6 p80 -65.6 -30.8 71.57 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 117.763 0.781 . . . . 2.09 111.21 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' 2072 ' ' ALA . 2.4 m80 41.75 79.33 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.746 0.818 . . . . 5.96 112.702 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.98 99.68 4.64 Favored Pre-proline 0 C--N 1.327 -0.387 0 C-N-CA 121.203 -0.199 . . . . 1.52 110.54 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.508 ' HA ' ' CD1' ' A' 2083 ' ' ILE . 10.9 Cg_exo -71.87 -19.65 26.88 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.804 2.336 . . . . 0.7 111.973 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -62.39 -37.31 85.24 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.193 -0.912 . . . . 2.96 112.087 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 34.9 t -100.05 18.77 17.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.021 0.439 . . . . 1.7 111.118 -173.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.643 HD13 ' CG2' ' A' 2071 ' ' THR . 20.0 mt -96.41 90.0 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-O 121.547 0.689 . . . . 0.76 110.585 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . . . . . . . . . 19.9 m -75.65 127.81 85.07 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.012 -0.995 . . . . 0.42 110.576 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.436 ' HA ' ' HG2' ' A' 2125 ' ' PRO . 38.3 Cg_endo -61.54 -30.8 86.8 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.887 3.058 . . . . 0.36 113.404 -174.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -72.91 -16.75 61.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.796 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.454 ' HB ' HD21 ' A' 2092 ' ' LEU . 3.2 m -91.05 156.48 17.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.39 111.136 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -93.41 141.71 28.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.411 -0.813 . . . . 0.32 109.937 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.569 ' HB3' ' CG1' ' A' 2094 ' ' ILE . 8.6 m-30 -56.06 -26.76 50.6 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.48 111.63 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -52.69 -58.51 6.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.472 0.483 . . . . 2.91 109.961 172.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' 2087 ' ' THR . 21.0 t70 -56.59 -41.16 76.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.686 -0.688 . . . . 1.88 111.724 174.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' 2087 ' ' THR . 0.9 OUTLIER -68.72 -23.67 64.38 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.088 0.403 . . . . 0.73 112.088 -177.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 131.0 -2.74 5.57 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 119.624 -1.274 . . . . 0.27 114.659 174.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.602 HD11 HD12 ' A' 2102 ' ' LEU . 15.7 mm -60.22 121.86 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 117.669 0.734 . . . . 0.28 111.131 175.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -104.57 -163.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 1.07 109.584 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 2.0 p -69.43 -34.26 74.18 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.425 0.631 . . . . 0.85 110.413 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.634 ' O ' ' HG ' ' A' 2100 ' ' LEU . 50.3 mt -73.87 -60.08 2.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.066 -0.97 . . . . 1.65 110.864 -176.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' 2102 ' ' LEU . 1.5 p -67.28 -11.23 56.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.14 -0.937 . . . . 0.27 112.709 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.94 95.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 0.29 110.636 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' 2097 ' ' LEU . 3.7 pp -82.67 -37.29 25.05 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.446 -0.502 . . . . 0.4 110.55 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.433 ' HA ' HD22 ' A' 2104 ' ' ASN . 5.1 mm-40 -62.07 -40.55 96.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.958 0.408 . . . . 0.72 111.231 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.602 HD12 HD11 ' A' 2094 ' ' ILE . 1.8 tt -59.04 -55.11 39.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.336 -0.616 . . . . 0.65 109.336 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.417 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 35.7 ttp-105 -54.76 -42.09 71.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.924 -1.035 . . . . 2.43 110.858 177.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' 2101 ' ' GLU . 86.0 m-20 -51.63 -40.92 60.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.045 0.45 . . . . 0.48 110.943 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 23.0 m -72.8 -45.6 57.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.51 110.517 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -45.6 90.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.032 -0.531 . . . . 1.13 111.723 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 16.7 m -59.49 -40.42 86.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.263 0.554 . . . . 0.81 110.231 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.11 -28.22 63.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.537 -0.756 . . . . 2.81 111.142 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -88.86 -10.83 46.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 2.6 111.368 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . 0.408 HG22 ' HE1' ' A' 2049 ' ' MET . 31.7 p -106.63 -39.98 5.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.999 -0.546 . . . . 1.03 110.852 178.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 91.09 -15.75 60.26 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.84 -0.695 . . . . 1.05 112.779 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.0 pp -92.37 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.812 0.339 . . . . 1.45 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.78 119.16 34.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.23 0.538 . . . . 1.18 111.176 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.629 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -122.97 177.74 1.55 Allowed Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.208 -0.906 . . . . 2.95 109.229 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 51.7 Cg_endo -90.07 155.11 4.8 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.567 2.178 . . . . 1.1 112.802 -171.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.417 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 32.8 Cg_endo -65.72 -10.83 28.09 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.843 2.362 . . . . 0.75 111.961 176.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 12.3 p -92.94 2.56 56.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.855 -0.611 . . . . 0.86 110.724 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' 2115 ' ' PRO . 1.5 tm? -36.36 -70.06 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.974 0.909 . . . . 0.7 113.002 177.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 37.5 mm -77.96 -20.95 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 121.388 0.613 . . . . 0.5 110.343 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.08 -34.72 78.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.465 -0.789 . . . . 3.49 110.196 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' 2122 ' ' HIS . 7.5 t70 -94.69 -45.7 7.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.634 -0.712 . . . . 2.0 111.171 -176.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . 0.418 ' CD2' ' HB3' ' A' 2121 ' ' ASP . 2.2 m-70 -121.25 63.94 13.39 Favored Pre-proline 0 C--N 1.332 -0.186 0 C-N-CA 120.798 -0.361 . . . . 0.71 111.715 -172.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . 0.497 ' HG3' ' C8 ' ' A' 2201 ' ' 66S . 60.9 Cg_endo -80.34 104.69 1.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 CA-C-N 120.466 1.202 . . . . 0.43 109.83 176.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.15 144.68 0.58 Allowed Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 114.891 -1.049 . . . . 0.5 109.005 -175.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.436 ' HG2' ' HA ' ' A' 2085 ' ' PRO . 17.7 Cg_exo -66.25 -60.36 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 121.515 1.477 . . . . 0.25 112.224 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.616 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.5 t60 -71.07 -33.24 70.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.8 111.589 -174.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . 0.493 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.35 -39.85 85.8 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.165 -0.214 . . . . 0.34 111.368 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.456 HD12 HG21 ' A' 2067 ' ' VAL . 23.0 mt -62.13 -39.65 93.31 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.724 -0.472 . . . . 0.64 109.724 172.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' 2126 ' ' HIS . 92.8 m -52.23 -53.82 38.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.569 -0.741 . . . . 0.33 110.759 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -40.68 88.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.738 -0.665 . . . . 2.22 110.687 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 58.4 t60 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.927 0.394 . . . . 0.59 110.877 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.479 ' HA ' ' HG2' ' A' 2135 ' ' ARG . 3.5 mm? -70.15 -21.39 63.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.224 -0.444 . . . . 0.48 110.957 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -73.58 -35.27 65.42 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.683 -0.488 . . . . 0.67 109.683 174.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . 0.533 ' HA ' ' OG1' ' A' 2137 ' ' THR . 46.3 m -68.07 -29.71 68.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.74 110.353 178.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' A' 2132 ' ' LEU . 28.3 mmm180 -54.76 -42.98 72.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.47 0.653 . . . . 3.18 110.79 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.488 ' HB3' HD11 ' A' 2051 ' ' LEU . 42.0 mt -85.21 -34.7 21.97 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.153 -0.93 . . . . 2.37 111.394 -174.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' 2134 ' ' THR . 38.4 p -74.25 -17.14 60.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.051 -0.522 . . . . 1.41 110.531 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.51 -47.3 82.25 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.68 -0.691 . . . . 2.57 111.048 174.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 3.9 p -77.95 103.62 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.063 -0.517 . . . . 3.48 110.973 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 41.8 m80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.296 -0.859 . . . . 6.78 110.507 -178.543 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.497 ' C8 ' ' HG3' ' A' 2123 ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.88 -0.488 . . . . 6.58 111.88 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' 2049 ' ' MET . 15.9 m 58.8 73.08 0.49 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.473 0.654 . . . . 4.27 110.228 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.25 13.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.942 -1.026 . . . . 6.67 113.064 -173.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.497 ' HG3' ' HB3' ' A' 2136 ' ' LEU . 13.3 mmt -64.19 -64.63 0.83 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.731 0.776 . . . . 3.75 111.197 -172.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -75.18 -6.83 51.71 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.474 -1.239 . . . . 9.54 111.168 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' 2051 ' ' LEU . 5.0 mp -102.75 -53.48 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.316 -0.402 . . . . 6.31 111.229 -174.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -94.02 115.83 28.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.073 0.397 . . . . 4.71 112.073 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 67.88 -32.18 0.23 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 116.595 1.398 . . . . 3.43 116.595 165.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' 2049 ' ' MET . 84.0 mt -97.1 140.47 31.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 118.626 1.213 . . . . 3.31 112.634 -174.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.486 ' OG ' ' HG2' ' A' 2058 ' ' GLN . 33.5 p -98.62 167.89 10.69 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 107.916 -1.142 . . . . 2.08 107.916 168.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.56 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 36.0 Cg_exo -39.43 -49.44 3.15 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.012 2.475 . . . . 1.78 114.126 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -68.08 -38.18 82.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 2.4 111.736 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' A' 2061 ' ' GLN . 78.4 mm-40 -71.55 -29.0 64.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.406 . . . . 2.4 111.574 -174.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.635 ' O ' HD13 ' A' 2063 ' ' LEU . 52.1 mt-30 -57.75 -42.6 84.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.346 -0.388 . . . . 2.83 111.428 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -54.61 -42.94 71.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.236 0.828 . . . . 1.38 113.236 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' 2058 ' ' GLN . 25.9 pt20 -61.3 -42.22 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.305 -0.558 . . . . 1.97 110.598 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 53.5 m -58.5 -59.39 5.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.978 -0.555 . . . . 0.83 110.701 175.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' 2067 ' ' VAL . 6.9 mp -55.0 -49.7 70.84 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.562 -0.745 . . . . 0.92 111.989 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.65 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.086 0.47 . . . . 0.37 111.711 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 26.6 m -90.73 -33.83 15.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.635 -0.711 . . . . 0.42 109.628 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.32 -58.43 8.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.599 -0.728 . . . . 0.37 110.027 174.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' 2063 ' ' LEU . 23.7 t -45.22 -53.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 122.201 1.0 . . . . 0.64 110.896 174.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . 0.482 ' HB1' HG13 ' A' 2083 ' ' ILE . . . -58.26 -45.93 86.91 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.531 -1.668 . . . . 0.29 111.733 -177.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -69.81 -32.69 71.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.779 0.323 . . . . 0.29 110.907 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' 2074 ' ' VAL . . . -62.18 -56.17 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.34 110.642 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.463 ' HB ' HD11 ' A' 2102 ' ' LEU . 5.7 t -64.76 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.687 . . . . 0.38 110.312 -178.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.986 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -73.45 -19.62 60.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.064 -0.971 . . . . 0.54 111.154 178.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 96.1 m -87.24 -39.39 15.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 0.6 111.255 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -70.2 -39.44 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.78 109.414 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 64.6 mt -91.52 175.36 6.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.018 -0.992 . . . . 1.24 110.51 174.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -100.75 60.79 0.64 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.698 -0.763 . . . . 1.3 112.907 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 30.1 p80 -160.57 56.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.314 0.578 . . . . 2.09 109.8 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.986 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 13.1 t-160 -74.93 73.65 2.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.019 0.914 . . . . 5.96 112.339 -172.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' 2081 ' ' GLU . 19.1 m -137.12 95.28 11.96 Favored Pre-proline 0 N--CA 1.444 -0.775 0 CA-C-N 114.302 -1.317 . . . . 1.52 108.136 165.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' 2083 ' ' ILE . 34.1 Cg_exo -61.97 -18.31 60.65 Favored 'Trans proline' 0 N--CA 1.471 0.189 0 C-N-CA 123.209 2.606 . . . . 0.7 112.232 -173.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . 0.472 ' HB3' HG22 ' A' 2079 ' ' THR . 34.8 tt0 -61.56 -36.97 82.13 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.131 -0.941 . . . . 2.96 111.123 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 23.3 t -95.46 13.73 24.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 1.7 111.06 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' 2072 ' ' ALA . 5.3 mm -86.91 105.72 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.704 -0.48 . . . . 0.76 109.704 174.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' 2125 ' ' PRO . 20.0 m -77.0 125.91 86.23 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 0.42 110.563 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.501 ' O ' ' HD2' ' A' 2125 ' ' PRO . 57.3 Cg_endo -66.87 -30.85 39.72 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 123.683 2.922 . . . . 0.36 113.797 -174.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.35 -9.07 58.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.024 0.379 . . . . 0.47 112.024 -176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' 2084 ' ' SER . 4.8 m -84.63 152.74 23.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.408 0.623 . . . . 0.39 111.064 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.414 ' O ' HD22 ' A' 2092 ' ' LEU . . . -89.18 139.26 30.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.326 -0.852 . . . . 0.32 109.777 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.416 ' HB3' HG13 ' A' 2094 ' ' ILE . 20.8 m-85 -53.72 -27.57 28.98 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.535 0.522 . . . . 0.48 111.612 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.12 -59.89 3.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.51 0.671 . . . . 2.91 110.468 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.84 -37.83 83.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.49 -1.232 . . . . 1.88 111.942 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' 2088 ' ' ALA . 1.1 mm? -66.9 -22.48 65.96 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.905 -0.318 . . . . 0.73 111.279 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 124.69 0.59 8.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.168 -1.015 . . . . 0.27 113.14 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' 2089 ' ' PHE . 31.1 mm -67.58 121.64 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.196 0.522 . . . . 0.28 112.099 -178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -105.08 -164.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.578 -0.737 . . . . 1.07 109.085 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -17.25 60.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.435 0.636 . . . . 0.85 110.271 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' 2100 ' ' LEU . 12.8 mt -82.56 -47.55 12.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.166 -0.925 . . . . 1.65 110.251 -176.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 1.6 p -85.09 -14.23 47.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.381 -0.827 . . . . 0.27 111.887 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.12 83.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.15 0.5 . . . . 0.29 110.347 174.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 2097 ' ' LEU . 2.9 pp -77.65 -43.0 32.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.62 -0.432 . . . . 0.4 110.473 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.511 ' N ' HD12 ' A' 2100 ' ' LEU . 7.4 mm-40 -56.88 -43.51 81.32 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 111.943 0.349 . . . . 0.72 111.943 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.497 ' HA ' HG11 ' A' 2074 ' ' VAL . 1.1 tt -56.22 -56.04 25.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 0.65 111.004 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.718 ' CZ ' ' HA ' ' A' 2116 ' ' PRO . 23.8 ptt-85 -68.42 -26.55 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.749 -0.38 . . . . 2.43 110.406 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.453 HD22 ' HA ' ' A' 2101 ' ' GLU . 91.5 m-20 -58.34 -47.28 84.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.344 0.593 . . . . 0.48 109.46 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' 2109 ' ' ASN . 17.1 m -63.04 -52.11 64.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.137 -0.938 . . . . 0.51 109.772 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -36.93 69.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.983 -0.553 . . . . 1.13 111.389 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 92.6 m -56.91 -49.1 76.62 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.376 0.608 . . . . 0.81 110.351 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 37.0 m80 -78.89 -26.73 43.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.643 -0.708 . . . . 2.81 111.454 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' 2105 ' ' THR . 13.2 m120 -68.85 -32.59 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.069 0.462 . . . . 2.6 110.735 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 30.7 p -95.65 -40.95 9.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.879 -0.6 . . . . 1.03 111.311 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 103.1 -4.97 49.27 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.827 -0.702 . . . . 1.05 112.273 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 3.4 pp -100.27 -173.29 2.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 1.45 110.913 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.05 140.02 47.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.672 -0.694 . . . . 1.18 110.459 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.489 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 3.8 pp -142.23 166.8 19.05 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 2.95 110.813 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.513 ' HD2' HD23 ' A' 2118 ' ' LEU . 29.2 Cg_endo -91.71 160.61 3.47 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.788 2.992 . . . . 1.1 113.466 -168.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.718 ' HA ' ' CZ ' ' A' 2103 ' ' ARG . 33.1 Cg_endo -65.13 -9.96 23.82 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.253 2.636 . . . . 0.75 112.926 177.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 4.7 p -101.63 2.78 39.19 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.368 -0.378 . . . . 0.86 110.966 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' 2115 ' ' PRO . 1.5 tm? -37.51 -66.15 0.26 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.288 -0.869 . . . . 0.7 112.284 175.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.74 -22.17 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.175 0.512 . . . . 0.5 110.671 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -73.67 -39.91 64.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.889 -0.596 . . . . 3.49 111.042 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.55 -38.77 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.269 -0.423 . . . . 2.0 111.467 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -124.05 58.72 16.09 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 119.109 -0.472 . . . . 0.71 111.385 -173.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -80.92 104.55 1.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-N 120.971 1.383 . . . . 0.43 111.546 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.62 143.05 0.49 Allowed Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.674 -1.148 . . . . 0.5 108.042 170.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.529 ' HA ' HG11 ' A' 2067 ' ' VAL . 36.0 Cg_exo -60.37 -46.89 16.02 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 121.675 1.584 . . . . 0.25 111.81 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.538 ' O ' ' HB ' ' A' 2129 ' ' THR . 81.1 t60 -75.47 -30.49 59.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.8 112.057 -178.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -73.43 -38.6 65.47 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.131 -0.355 . . . . 0.34 111.262 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.01 -28.54 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.96 -0.385 . . . . 0.64 109.96 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.538 ' HB ' ' O ' ' A' 2126 ' ' HIS . 38.2 m -57.36 -36.54 71.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.823 -0.626 . . . . 0.33 110.387 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -77.35 -45.91 24.57 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.346 -0.843 . . . . 2.22 110.198 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 61.3 t60 -62.31 -52.97 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.59 110.562 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.518 HD13 ' HG3' ' A' 2135 ' ' ARG . 3.6 mm? -68.74 -23.01 64.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.48 111.063 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' 2129 ' ' THR . 43.8 t-80 -64.71 -37.29 87.1 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.343 -0.614 . . . . 0.67 109.343 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 24.2 m -66.91 -41.2 87.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.781 -0.645 . . . . 0.74 109.547 176.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.518 ' HG3' HD13 ' A' 2132 ' ' LEU . 21.7 mmm180 -62.87 -42.45 99.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.611 -0.722 . . . . 3.18 110.918 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.497 ' HB3' ' HG3' ' A' 2049 ' ' MET . 29.8 mt -93.46 4.76 53.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.537 -0.756 . . . . 2.37 112.208 -172.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 22.0 p -105.48 -20.54 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.207 -0.664 . . . . 1.41 109.207 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -80.96 -7.81 59.61 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.648 -1.16 . . . . 2.57 110.907 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 12.5 p -87.58 111.6 21.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.734 -0.667 . . . . 3.48 110.942 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.495 -0.765 . . . . 6.78 110.09 177.393 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.387 -0.285 . . . . 6.58 112.387 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . 0.421 ' HB2' ' HG3' ' A' 2049 ' ' MET . 12.1 p -135.18 139.63 44.7 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.627 -0.337 . . . . 4.27 110.515 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . 0.549 ' HB2' ' OE1' ' A' 2059 ' ' GLN . 11.9 m170 -99.65 23.48 9.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.337 -0.392 . . . . 6.67 110.663 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.523 ' HG3' ' HG ' ' A' 2136 ' ' LEU . 50.1 mtt -48.09 -48.17 33.82 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.451 0.643 . . . . 3.75 111.817 -177.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -71.15 -12.21 61.36 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.002 -0.999 . . . . 9.54 111.11 -174.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.37 23.68 6.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.162 -0.472 . . . . 6.31 110.362 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 62.6 t30 -48.92 144.09 4.93 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.665 -0.698 . . . . 4.71 110.747 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 102.37 -2.09 50.23 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.577 -1.409 . . . . 3.43 109.577 -167.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . 0.663 ' CD2' ' HG3' ' A' 2059 ' ' GLN . 0.0 OUTLIER -65.33 156.86 30.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.786 -1.207 . . . . 3.31 110.804 176.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . . . . . . . . . 19.7 m -89.1 136.86 29.88 Favored Pre-proline 0 C--N 1.317 -0.828 0 N-CA-C 108.621 -0.881 . . . . 2.08 108.621 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' 2060 ' ' GLN . 41.9 Cg_exo -37.08 -46.1 1.42 Allowed 'Trans proline' 0 CA--C 1.535 0.525 0 C-N-CA 124.108 3.206 . . . . 1.78 115.447 -167.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.27 -22.99 61.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.221 0.452 . . . . 2.4 112.221 -175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.471 ' HB2' HD23 ' A' 2054 ' ' LEU . 16.2 mm100 -59.42 -43.22 93.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.577 0.227 . . . . 2.4 111.494 -177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.689 ' O ' HD13 ' A' 2063 ' ' LEU . 11.1 mt-30 -79.31 -43.4 23.67 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.489 -0.485 . . . . 2.83 110.456 175.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' 2056 ' ' PRO . 42.6 mt-30 -55.65 -35.75 66.27 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 112.541 0.571 . . . . 1.38 112.541 -175.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -63.13 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.275 -0.57 . . . . 1.97 110.311 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 98.3 m -61.44 -57.67 11.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.723 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.689 HD13 ' O ' ' A' 2059 ' ' GLN . 5.9 mp -59.66 -38.84 82.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.391 -0.822 . . . . 0.92 111.997 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -66.05 -29.45 69.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.37 110.514 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 49.8 m -81.33 -34.83 31.59 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.5 -0.556 . . . . 0.42 109.5 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.05 -63.9 1.14 Allowed 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.776 -0.647 . . . . 0.37 110.719 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' 2063 ' ' LEU . 7.7 p -53.62 -41.37 46.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 123.474 0.484 . . . . 0.64 111.362 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -61.64 -57.55 11.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.29 111.004 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.428 ' HA ' ' HG3' ' A' 2080 ' ' PRO . . . -62.01 -28.49 69.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.29 110.939 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.02 -57.38 10.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.029 -0.532 . . . . 0.34 110.128 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.494 ' CG2' HD13 ' A' 2083 ' ' ILE . 4.8 t -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.279 0.562 . . . . 0.38 110.426 -177.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.727 ' HB1' ' HA ' ' A' 2078 ' ' HIS . . . -66.29 -25.36 66.82 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.362 -0.835 . . . . 0.54 110.409 174.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 24.0 m -86.71 -35.84 19.02 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.89 -0.324 . . . . 0.6 110.864 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' 2070 ' ' ALA . 0.9 OUTLIER -71.78 -40.83 70.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.78 109.897 -179.182 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 72.2 mt -91.08 126.87 36.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 1.24 110.95 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . -69.16 89.65 0.26 Allowed Glycine 0 CA--C 1.518 0.277 0 CA-C-N 116.048 -0.524 . . . . 1.3 113.145 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 28.3 p80 -175.29 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.743 -0.836 . . . . 2.09 108.743 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.727 ' HA ' ' HB1' ' A' 2072 ' ' ALA . 47.4 t-80 44.83 84.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.359 -1.291 . . . . 5.96 114.128 175.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' 2081 ' ' GLU . 4.3 m -152.71 96.7 2.95 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 108.887 -0.783 . . . . 1.52 108.887 167.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.428 ' HG3' ' HA ' ' A' 2069 ' ' ALA . 23.0 Cg_exo -64.71 -19.48 64.58 Favored 'Trans proline' 0 N--CA 1.467 -0.064 0 C-N-CA 122.693 2.262 . . . . 0.7 111.655 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . 0.445 ' HB3' HG22 ' A' 2079 ' ' THR . 31.6 tt0 -64.98 -37.86 89.07 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.971 -1.013 . . . . 2.96 111.407 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 11.6 t -93.5 10.57 31.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.236 0.541 . . . . 1.7 110.55 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' 2071 ' ' THR . 21.9 mt -91.23 103.59 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.411 . . . . 0.76 110.032 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.567 ' HB2' ' OG1' ' A' 2087 ' ' THR . 53.9 m -75.49 130.67 79.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.189 -0.459 . . . . 0.42 110.581 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.497 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 60.1 Cg_endo -67.38 -27.62 40.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.321 2.68 . . . . 0.36 113.172 -175.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -85.93 -8.32 58.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.21 -0.45 . . . . 0.47 112.196 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.8 m -84.17 151.62 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.322 0.582 . . . . 0.39 110.906 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . . . . . . . . . . . -87.04 137.59 32.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.284 -0.871 . . . . 0.32 109.497 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.434 ' HA ' HD23 ' A' 2092 ' ' LEU . 8.1 m-85 -53.39 -30.5 40.31 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.94 -0.573 . . . . 0.48 111.994 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -49.76 64.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 123.527 0.517 . . . . 2.91 109.911 174.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.89 -34.45 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.309 -0.86 . . . . 1.88 111.407 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 2089 ' ' PHE . 1.6 mm? -69.29 -23.38 63.82 Favored 'General case' 0 C--O 1.23 0.053 0 C-N-CA 120.827 -0.349 . . . . 0.73 111.251 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 125.99 5.7 6.18 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.021 -1.085 . . . . 0.27 112.918 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.467 HD11 ' OG1' ' A' 2071 ' ' THR . 33.8 mm -74.23 129.12 36.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.016 0.436 . . . . 0.28 111.663 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -112.73 -163.85 0.88 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.925 -1.139 . . . . 1.07 107.925 170.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 5.4 p -71.98 -39.87 68.99 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.125 -0.63 . . . . 0.85 110.7 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.786 ' O ' ' HG ' ' A' 2100 ' ' LEU . 2.1 tt -62.12 -53.46 55.06 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.422 -0.808 . . . . 1.65 111.61 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . 0.519 ' N ' HD23 ' A' 2097 ' ' LEU . 0.6 OUTLIER -67.96 -16.45 64.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.8 0.333 . . . . 0.27 111.774 179.021 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.84 -32.78 72.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.319 -0.4 . . . . 0.29 110.7 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.786 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.5 pp -80.25 -33.49 37.87 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.363 -0.535 . . . . 0.4 109.741 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' 2104 ' ' ASN . 9.2 mm-40 -58.71 -40.78 84.7 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.077 0.465 . . . . 0.72 110.664 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.469 HD22 HD11 ' A' 2106 ' ' LEU . 0.6 OUTLIER -63.59 -52.51 60.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.745 -0.662 . . . . 0.65 110.499 177.057 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.596 ' NH1' ' HA ' ' A' 2116 ' ' PRO . 40.0 mtm105 -58.44 -33.5 69.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.005 -0.543 . . . . 2.43 111.164 176.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' 2101 ' ' GLU . 73.4 m-20 -53.73 -42.29 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.48 111.0 175.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 25.3 m -80.61 -47.28 14.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.229 -0.441 . . . . 0.51 111.162 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.469 HD11 HD22 ' A' 2102 ' ' LEU . 85.0 mt -54.92 -48.45 73.08 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.873 0.368 . . . . 1.13 111.281 -177.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . 0.622 ' HA ' HD23 ' A' 2114 ' ' LEU . 26.2 m -61.84 -49.69 75.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.647 . . . . 0.81 110.913 -178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 81.0 t60 -68.43 -32.63 72.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.767 -0.651 . . . . 2.81 111.574 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -71.51 -27.91 63.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 2.6 111.184 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 5.9 p -100.45 -35.28 9.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.295 -0.411 . . . . 1.03 111.943 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 92.36 11.68 59.39 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.146 -0.782 . . . . 1.05 111.146 -176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' 2135 ' ' ARG . 57.4 mt -94.97 -168.57 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.973 -0.613 . . . . 1.45 111.313 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -120.51 119.81 34.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.859 -1.064 . . . . 1.18 109.715 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' 2107 ' ' THR . 4.2 mm? -112.48 133.35 21.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.315 -0.402 . . . . 2.95 110.91 -174.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -72.03 145.11 44.06 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.802 2.334 . . . . 1.1 111.802 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.596 ' HA ' ' NH1' ' A' 2103 ' ' ARG . 38.1 Cg_endo -66.31 -13.25 39.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.822 2.348 . . . . 0.75 111.943 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 2.3 p -95.28 4.99 52.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.551 -0.75 . . . . 0.86 111.282 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.442 ' HB3' ' HD3' ' A' 2103 ' ' ARG . 20.8 tp -44.27 -59.04 2.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.326 0.584 . . . . 0.7 111.956 175.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . . . . . . . . . 15.7 mm -79.08 -0.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.5 110.059 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -42.43 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.752 -0.832 . . . . 3.49 108.752 175.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -86.06 -51.23 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.432 -0.804 . . . . 2.0 111.263 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -125.69 64.69 50.63 Favored Pre-proline 0 C--N 1.331 -0.204 0 C-N-CA 120.808 -0.357 . . . . 0.71 111.364 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -80.2 104.46 1.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 CA-C-N 120.568 1.239 . . . . 0.43 110.259 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' 2127 ' ' ALA . 0.0 OUTLIER -177.53 143.96 0.53 Allowed Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 114.582 -1.19 . . . . 0.5 108.923 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.497 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 32.5 Cg_exo -57.55 -59.47 0.57 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 121.806 1.671 . . . . 0.25 112.166 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.604 ' O ' ' HB ' ' A' 2129 ' ' THR . 86.3 t60 -70.92 -35.23 72.18 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.974 0.361 . . . . 0.8 111.974 -174.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . 0.467 ' HB3' ' OG1' ' A' 2124 ' ' THR . . . -67.89 -33.06 73.99 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.925 -0.31 . . . . 0.34 111.389 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' 2128 ' ' LEU . 18.8 mt -67.22 -36.75 82.33 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.982 0.42 . . . . 0.64 109.936 171.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' 2126 ' ' HIS . 87.8 m -53.7 -42.98 68.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.543 -0.753 . . . . 0.33 110.341 175.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2126 ' ' HIS . 60.9 mt-30 -61.35 -44.78 96.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.516 -0.766 . . . . 2.22 110.477 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.91 -56.54 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 0.59 110.819 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.55 ' O ' HD13 ' A' 2136 ' ' LEU . 3.3 mm? -68.61 -24.6 64.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.882 -0.599 . . . . 0.48 110.971 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -65.7 -34.42 78.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.021 -0.363 . . . . 0.67 110.021 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 4.6 m -72.51 -42.01 65.27 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.005 -0.543 . . . . 0.74 109.774 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.527 ' HB3' HD13 ' A' 2112 ' ' LEU . 36.3 mmt180 -63.95 -21.13 66.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.52 0.563 . . . . 3.18 112.52 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.59 ' HB3' HE22 ' A' 2059 ' ' GLN . 8.7 mp -100.58 -13.16 18.71 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 111.966 0.358 . . . . 2.37 111.966 -175.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 30.8 p -111.8 -50.99 2.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.468 0.651 . . . . 1.41 111.12 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -20.2 58.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.993 -1.003 . . . . 2.57 111.58 -174.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . . . . . . . . . 44.1 t -74.36 111.19 9.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.963 -0.384 . . . . 3.48 109.963 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 78.1 m-70 . . . . . 0 C--O 1.246 0.871 0 CA-C-N 115.811 -0.632 . . . . 6.78 110.938 -176.045 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . 0.431 ' C28' ' HB2' ' A' 2097 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2046 ' ' GLY . . . . . 0.714 ' N ' ' HG ' ' A' 2139 ' ' SER . . . . . . . . 0 N--CA 1.485 1.904 0 N-CA-C 111.634 -0.586 . . . . 6.58 111.634 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2047 ' ' SER . . . . . . . . . . . . . 14.5 m 59.93 -97.99 0.08 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.044 0.538 . . . . 4.27 111.244 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2048 ' ' HIS . . . . . . . . . . . . . 8.3 p80 -132.39 6.81 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.682 0.277 . . . . 6.67 111.565 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2049 ' ' MET . . . . . 0.456 ' HG3' HD13 ' A' 2136 ' ' LEU . 24.5 mmt -72.08 -63.07 1.21 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.332 0.587 . . . . 3.75 112.463 -168.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2050 ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -75.84 -0.67 22.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.106 -0.952 . . . . 9.54 111.269 -175.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2051 ' ' LEU . . . . . . . . . . . . . 82.8 mt -99.24 -53.99 3.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.106 -0.497 . . . . 6.31 110.601 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2052 ' ' ASN . . . . . . . . . . . . . 40.3 t30 -96.25 113.8 25.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.382 0.512 . . . . 4.71 112.382 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2053 ' ' GLY . . . . . . . . . . . . . . . 63.23 -32.44 0.08 OUTLIER Glycine 0 CA--C 1.531 1.065 0 N-CA-C 117.573 1.789 . . . . 3.43 117.573 163.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2054 ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.81 137.02 33.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 118.844 1.322 . . . . 3.31 113.454 -170.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2055 ' ' SER . . . . . 0.441 ' H ' ' HB2' ' A' 2058 ' ' GLN . 39.9 p -100.35 169.47 7.91 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 114.19 -1.368 . . . . 2.08 107.625 164.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2056 ' ' PRO . . . . . 0.555 ' HA ' ' OE1' ' A' 2059 ' ' GLN . 84.6 Cg_exo -46.82 -41.23 25.19 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.226 1.951 . . . . 1.78 113.1 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2057 ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' 2061 ' ' GLN . 54.7 mt-30 -71.36 -40.89 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.605 -0.271 . . . . 2.4 111.265 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2058 ' ' GLN . . . . . 0.441 ' HB2' ' H ' ' A' 2055 ' ' SER . 85.0 mm-40 -67.7 -33.58 75.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 2.4 111.069 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2059 ' ' GLN . . . . . 0.624 ' O ' HD13 ' A' 2063 ' ' LEU . 56.6 mt-30 -51.51 -55.06 21.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.881 -0.599 . . . . 2.83 111.033 175.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2060 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.35 -36.86 69.25 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 111.935 0.346 . . . . 1.38 111.935 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2061 ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' 2057 ' ' GLN . 48.6 mm-40 -62.32 -51.96 65.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.517 0.675 . . . . 1.97 109.684 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2062 ' ' THR . . . . . . . . . . . . . 58.7 m -53.6 -58.21 8.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.576 -1.193 . . . . 0.83 111.121 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2063 ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' 2059 ' ' GLN . 8.3 mp -57.38 -38.82 74.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.793 0.664 . . . . 0.92 112.793 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2064 ' ' ALA . . . . . . . . . . . . . . . -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.37 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2065 ' ' THR . . . . . . . . . . . . . 22.0 m -90.63 -33.31 15.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.42 109.492 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2066 ' ' LEU . . . . . 0.507 HD22 ' ND2' ' A' 2109 ' ' ASN . 17.1 tp -54.32 -60.94 2.66 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.366 -0.833 . . . . 0.37 110.995 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2067 ' ' VAL . . . . . 0.533 ' HA ' HD21 ' A' 2106 ' ' LEU . 7.5 p -54.41 -41.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.595 -0.73 . . . . 0.64 111.55 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2068 ' ' ALA . . . . . . . . . . . . . . . -63.86 -51.9 62.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.082 -0.508 . . . . 0.29 110.862 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2069 ' ' ALA . . . . . 0.535 ' N ' ' HB3' ' A' 2080 ' ' PRO . . . -61.99 -31.91 72.32 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.897 0.379 . . . . 0.29 110.603 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2070 ' ' ALA . . . . . 0.658 ' O ' HG13 ' A' 2074 ' ' VAL . . . -63.21 -59.88 4.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.815 -0.629 . . . . 0.34 109.86 175.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2071 ' ' THR . . . . . 0.48 ' HB ' HD11 ' A' 2102 ' ' LEU . 7.3 t -66.41 -31.77 72.74 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.02 0.438 . . . . 0.38 111.004 -173.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2072 ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' 2083 ' ' ILE . . . -74.17 -19.01 60.7 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.014 -0.539 . . . . 0.54 111.15 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2073 ' ' THR . . . . . . . . . . . . . 66.3 m -89.88 -39.54 12.98 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.548 0.203 . . . . 0.6 111.548 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2074 ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' 2070 ' ' ALA . 0.8 OUTLIER -64.77 -36.64 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 109.069 -0.715 . . . . 0.78 109.069 179.115 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . 0.4 HD21 HD13 ' A' 2094 ' ' ILE . 58.0 mt -90.48 -37.27 14.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.197 -0.911 . . . . 1.24 111.583 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2076 ' ' GLY . . . . . . . . . . . . . . . 60.35 82.95 0.06 OUTLIER Glycine 0 N--CA 1.46 0.241 0 C-N-CA 121.155 -0.545 . . . . 1.3 112.002 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2077 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.63 -1.76 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.909 1.077 . . . . 2.09 113.909 -171.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2078 ' ' HIS . . . . . 0.447 ' O ' ' HB1' ' A' 2072 ' ' ALA . 33.9 t60 -161.52 142.47 11.1 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 119.839 -0.744 . . . . 5.96 112.154 -169.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2079 ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' 2080 ' ' PRO . 56.5 m -65.56 119.41 59.85 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.668 -0.696 . . . . 1.52 110.074 172.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2080 ' ' PRO . . . . . 0.535 ' HB3' ' N ' ' A' 2069 ' ' ALA . 50.1 Cg_exo -56.99 -34.79 98.29 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.09 2.527 . . . . 0.7 112.318 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2081 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.42 -20.94 64.99 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.488 -0.778 . . . . 2.96 111.208 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2082 ' ' SER . . . . . . . . . . . . . 10.7 t -110.32 19.35 18.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 1.7 111.033 -176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2083 ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' 2072 ' ' ALA . 9.3 mt -87.45 117.65 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 O-C-N 122.053 -0.404 . . . . 0.76 110.48 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2084 ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' 2125 ' ' PRO . 33.2 m -69.11 134.11 89.59 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.745 . . . . 0.42 111.002 -176.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2085 ' ' PRO . . . . . 0.533 ' HA ' ' HB2' ' A' 2125 ' ' PRO . 57.1 Cg_endo -67.92 -30.48 32.91 Favored 'Trans proline' 0 N--CA 1.471 0.172 0 C-N-CA 123.737 2.958 . . . . 0.36 113.938 -172.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2086 ' ' ALA . . . . . . . . . . . . . . . -96.93 13.97 27.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.957 0.725 . . . . 0.47 112.957 -173.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2087 ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' 2084 ' ' SER . 2.2 m -90.93 152.51 20.69 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.174 0.511 . . . . 0.39 111.168 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2088 ' ' ALA . . . . . 0.466 ' O ' HD22 ' A' 2092 ' ' LEU . . . -83.99 139.21 32.69 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.32 109.408 176.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2089 ' ' PHE . . . . . 0.471 ' HB3' HG13 ' A' 2094 ' ' ILE . 13.6 m-85 -60.89 -25.54 66.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 0.48 112.18 -176.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2090 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -18.22 61.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 120.968 0.414 . . . . 2.91 110.879 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2091 ' ' ASP . . . . . 0.421 ' HB3' HG22 ' A' 2087 ' ' THR . 14.9 t70 -80.96 -29.45 35.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.329 -0.619 . . . . 1.88 109.329 174.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2092 ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' 2088 ' ' ALA . 0.6 OUTLIER -80.86 -23.24 39.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.73 110.818 178.074 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2093 ' ' GLY . . . . . . . . . . . . . . . 122.57 11.22 5.61 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.364 -0.922 . . . . 0.27 113.463 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2094 ' ' ILE . . . . . 0.471 HG13 ' HB3' ' A' 2089 ' ' PHE . 26.0 mm -70.33 125.19 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.986 0.422 . . . . 0.28 112.089 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2095 ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' 2099 ' ' ALA . 22.9 m-20 -98.37 -168.58 1.67 Allowed 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.601 -0.727 . . . . 1.07 109.061 174.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2096 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -24.08 44.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 118.924 -1.11 . . . . 0.85 109.608 174.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' 2100 ' ' LEU . 40.7 mt -75.58 -52.79 9.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.158 -0.928 . . . . 1.65 110.027 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2098 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.52 -12.01 60.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.301 -0.863 . . . . 0.27 111.825 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' 2119 ' ' ILE . . . -61.12 -47.65 85.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 0.29 110.122 173.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2100 ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' 2097 ' ' LEU . 4.0 pp -70.81 -35.82 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.418 -0.355 . . . . 0.4 110.781 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2101 ' ' GLU . . . . . 0.571 ' N ' HD12 ' A' 2100 ' ' LEU . 6.7 mm-40 -58.74 -44.04 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.795 0.331 . . . . 0.72 111.396 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2102 ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' 2106 ' ' LEU . 1.7 tt -56.61 -54.46 45.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.03 -0.532 . . . . 0.65 110.065 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2103 ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' 2116 ' ' PRO . 60.2 ttp85 -55.41 -40.13 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 2.43 111.182 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2104 ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' 2101 ' ' GLU . 84.0 m-20 -51.22 -51.88 49.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.119 -0.492 . . . . 0.48 110.601 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2105 ' ' THR . . . . . . . . . . . . . 26.8 m -62.16 -45.4 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.51 110.821 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2106 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 2102 ' ' LEU . 73.0 mt -59.77 -44.51 93.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 1.13 111.326 -178.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2107 ' ' THR . . . . . . . . . . . . . 24.3 m -65.54 -41.93 92.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.929 -0.578 . . . . 0.81 110.867 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2108 ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.38 -27.07 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.973 -0.558 . . . . 2.81 110.954 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2109 ' ' ASN . . . . . 0.507 ' ND2' HD22 ' A' 2066 ' ' LEU . 7.7 t30 -77.08 -48.13 18.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.158 0.504 . . . . 2.6 110.973 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2110 ' ' THR . . . . . . . . . . . . . 17.7 p -70.62 -41.03 72.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.843 -0.617 . . . . 1.03 111.438 -174.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2111 ' ' GLY . . . . . . . . . . . . . . . 105.48 -31.07 8.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 1.05 112.731 175.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2112 ' ' LEU . . . . . . . . . . . . . 1.4 pp -84.44 -177.65 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.963 0.411 . . . . 1.45 110.717 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2113 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -115.96 133.5 55.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.134 -0.484 . . . . 1.18 110.026 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2114 ' ' LEU . . . . . 0.637 ' HB2' ' CD ' ' A' 2115 ' ' PRO . 0.0 OUTLIER -135.06 177.17 2.36 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.772 -0.649 . . . . 2.95 109.424 -178.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2115 ' ' PRO . . . . . 0.637 ' CD ' ' HB2' ' A' 2114 ' ' LEU . 55.6 Cg_endo -81.33 151.62 17.79 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.014 1.809 . . . . 1.1 112.83 -168.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2116 ' ' PRO . . . . . 0.469 ' HA ' ' NE ' ' A' 2103 ' ' ARG . 35.1 Cg_endo -64.38 -16.66 56.3 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.108 2.539 . . . . 0.75 111.973 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2117 ' ' THR . . . . . . . . . . . . . 20.6 p -89.89 4.09 51.02 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.865 -0.607 . . . . 0.86 110.967 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2118 ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' 2115 ' ' PRO . 2.0 tm? -32.81 -62.09 0.26 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.68 0.792 . . . . 0.7 112.958 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2119 ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' 2099 ' ' ALA . 41.1 mm -75.04 -25.43 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.336 0.589 . . . . 0.5 110.838 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2120 ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -73.7 -32.1 63.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.568 -0.742 . . . . 3.49 110.279 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2121 ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.7 -51.65 8.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 2.0 111.124 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2122 ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -126.66 72.58 74.3 Favored Pre-proline 0 N--CA 1.465 0.276 0 CA-C-O 119.359 -0.353 . . . . 0.71 111.61 -171.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2123 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -81.71 104.24 1.43 Allowed 'Trans proline' 0 N--CA 1.446 -1.293 0 CA-C-N 120.479 1.207 . . . . 0.43 111.581 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2124 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.55 140.68 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 124.573 1.149 . . . . 0.5 108.235 168.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2125 ' ' PRO . . . . . 0.533 ' HB2' ' HA ' ' A' 2085 ' ' PRO . 51.9 Cg_exo -55.57 -58.15 1.25 Allowed 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 121.914 1.743 . . . . 0.25 112.216 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2126 ' ' HIS . . . . . 0.545 ' O ' ' HB ' ' A' 2129 ' ' THR . 71.6 t60 -69.17 -31.48 70.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.8 111.946 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2127 ' ' ALA . . . . . . . . . . . . . . . -66.87 -40.55 87.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.84 0.352 . . . . 0.34 110.636 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2128 ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.26 -36.89 85.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.64 110.512 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2129 ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' 2126 ' ' HIS . 90.9 m -52.07 -52.61 50.06 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.172 -0.467 . . . . 0.33 110.009 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2130 ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -63.73 -44.89 92.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.361 -0.836 . . . . 2.22 111.955 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2131 ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' 2135 ' ' ARG . 74.8 t60 -58.17 -59.49 5.22 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.932 -0.307 . . . . 0.59 110.227 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2132 ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' 2132 ' ' LEU . 3.8 mm? -65.03 -31.64 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.48 110.957 -177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2133 ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -60.87 -45.9 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.867 -0.42 . . . . 0.67 109.867 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2134 ' ' THR . . . . . . . . . . . . . 11.0 m -66.07 -33.96 76.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.76 -0.655 . . . . 0.74 110.274 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2135 ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' 2131 ' ' HIS . 3.7 mmp_? -61.99 -35.52 78.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.399 0.619 . . . . 3.18 110.556 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2136 ' ' LEU . . . . . 0.456 HD13 ' HG3' ' A' 2049 ' ' MET . 13.9 mt -88.48 -33.06 17.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.328 -0.851 . . . . 2.37 111.271 -175.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2137 ' ' THR . . . . . . . . . . . . . 32.2 p -78.91 -26.26 43.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.645 0.26 . . . . 1.41 111.494 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2138 ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -63.68 -16.61 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 2.57 111.528 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2139 ' ' SER . . . . . 0.714 ' HG ' ' N ' ' A' 2046 ' ' GLY . 42.7 t -92.13 79.17 5.15 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.339 0.59 . . . . 3.48 109.582 174.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2140 ' ' HIS . . . . . . . . . . . . . 23.5 t60 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.456 -0.783 . . . . 6.78 109.436 177.32 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2201 ' ' 66S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_